List of Publications
  1. Metal stabilized [B8H8]2- derivatives with dodecahedral structure in solid- and solution-state: [(Cp2MBH3)2B8H6], (Cp = η5-C5H5; M = Zr (1-Zr) and Hf (1-Hf))
    S. Kar, S. Bairagi, G. Joshi, E. D. Jemmis, S. Ghosh
    Chem. A Eur. J.(2021) DOI: 10.1002/chem.202102832 Read more...

  2. Comparison of RNC coupling and CO coupling mediated by Cr-Cr quintuple bond and B-B multiple bonds: Main-group metallomimetics.
    S. Ghorai, R. Meena, A. Joseph, E. D. Jemmis
    J. Phys. Chem. A 125 (2021) 7207-7216. Read more...

  3. Reversing Lewis Acidity from Bismuth to Antimony.
    D. Sharma, S. Balasubramaniam, S. Kumar, E. D. Jemmis, A. Venugopal
    Chem. Commun. 57 (2021) 8889-8892. Read more...

  4. Borophenes: Insights and Predictions From Computational Analyses.
    N. Karmodak, E. D. Jemmis, B. I. Yakobson
    2D Boron: Boraphene, Borophene, Boronene, Springer International Publishing (2021) 27-49. Read more...

  5. A Neutral Three-Membered 2π Aromatic Disilaborirane and its Unique Conversion to a Four-Membered BSi2N-Ring.
    S. K. Sarkar, R. Chaliha, M. M. Siddiqui, S. Banerjee, A. Münch. Herbst-Irmer, D. Stalke, E. D. Jemmis, H. W. Roesky
    Angew. Chemie - Int. Ed. 59 (2020) 23015-23019. Read more...

  6. Electrophilic Organobismuth Dication Catalyzes Carbonyl Hydrosilylation.
    R. Kannan, S. Balasubramaniam, S. Kumar, R. Chambenahalli, E.D. Jemmis, A. Venugopal
    Chem. - A Eur. J. 26 (2020) 12717-12721. Read more...

  7. DFT Study of C-C and C-N coupling on a quintuple-bonded Cr2 template: MECP (Minimum Energy Crossing Point) Barriers Control Product Distribution.
    S. Ghorai, E.D. Jemmis
    Organometallics. 39 (2020) 1700-1709. Read more...

  8. Trans-Influence in Heavy Main Group Compounds: A Case Study on Tris(pyrazolyl)borate Bismuth Complexes
    S. Balasubramaniam, S. Kumar, A.P. Andrews, E.D. Jemmis, A. Venugopal
    Eur. J. Inorg. Chem. 2020 (2020) 2530-2536. Read more...

  9. Structure and bonding in [L]M(μ-CCR)2M[L] and [L]M(μ-RC4R)M[L]: Requirements for C-C coupling
    S. Ghorai, E.D. Jemmis
    Dalton Trans. 49 (2020) 5157-5166. Read more...

  10. Continuum in H-bond and Other Weak Interactions (X-Z··Y): Shift in X-Z Stretch from Blue Through Zero to Red.
    G. Karir, E.D. Jemmis
    J. Indian Inst. Sci. 100 (2020) 127-133. Read more...

  11. Designing M-bond (X-M··· Y, M = transition metal): σ-hole and radial density distribution.
    J. Joy, E.D. Jemmis
    J. Chem. Sci. 131 (2019) 1-8. Read more...

  12. Organoaluminum cations for carbonyl activation.
    R. Kannan, R. Chambenahalli, S. Kumar, A. Krishna, A.P. Andrews, E.D. Jemmis, A. Venugopal
    Chem. Commun. 55 (2019) 14629-14632. Read more...

  13. Stabilization of Classical [B2H5]-: Structure and Bonding of [(Cp*Ta)2(B2H5)(μ-H)L2] (Cp*=η5-C5Me5; L=SCH2S)
    K. Saha, S. Ghorai, S. Kar, S. Saha, R. Halder, B. Raghavendra, E. D. Jemmis, S. Ghosh
    Angew. Chem. Int. Ed. 58 (2019) 17684-17689. Read more...

  14. Isolation of base stabilized fluoroborylene and its radical cation.
    S.K. Sarkar, M.M. Siddiqui, S. Kundu, M. Ghosh, J. Kretsch, P. Stollberg, R. Herbst-Irmer, D. Stalke, A.C. Stückl, B. Schwederski, W. Kaim, S. Ghorai, E.D. Jemmis, H.W. Roesky
    Dalton Trans. 48 (2019) 8551-8555. Read more...

  15. A Dicationic Bismuth(III) Lewis Acid: Catalytic Hydrosilylation of Olefins.
    S. Balasubramaniam, S. Kumar, A.P. Andrews, B. Varghese, E.D. Jemmis, A. Venugopal
    Eur. J. Inorg. Chem. 2019 (2019) 3265-3269. Read more...

  16. A theoretical analysis of the structure and properties of B26H30 isomers. Consequences to the laser and semiconductor doping capabilities of large borane clusters.
    J. Machácek, A. Francés-Monerris, N. Karmodak, D. Roca-Sanjuán, J. Fanfrlík, M.G.S. Londesborough, D. Hnyk, E.D. Jemmis
    Phys. Chem. Chem. Phys. 21 (2019) 12916-12923. Read more...

  17. Overlap of Radial Dangling Orbitals Controls the Relative Stabilities of Polyhedral BnHn-x Isomers (n = 5-12, x = 0 to n - 1).
    N. Karmodak, R. Chaliha, E.D. Jemmis
    Inorg. Chem. 58 (2019) 3627-3634. Read more...

  18. Controversy continues on the position of elements in the Periodic Table.
    E. D. Jemmis
    Curr. Sci. 114 (2018) 2428-2429. Read more...

  19. Metal Templates and Boron Sources Controlling Borophene Structures: An Ab Initio Study.
    N. Karmodak, E.D. Jemmis
    J. Phys. Chem. C. 122 (2018) 2268-2274.
    Read more...

  20. Origin of β-agostic interaction in d0 transition metal alkyl complexes: Influence of ligands.
    S. Ramakrishnan, E.D. Jemmis
    J. Organomet. Chem. 865 (2018) 37-44. Read more...

  21. Halogen bond shortens and strengthens the bridge bond of [1.1.1] propellane and the open form of [2.2.2]propellane.
    J. Joy, E. Akhil, E.D. Jemmis
    Phys. Chem. Chem. Phys. 20 (2018) 25792-25798. Read more...

  22. Adamantane-Derived Carbon Nanothreads: High Structural Stability and Mechanical Strength.
    S. Marutheeswaran, E.D. Jemmis
    J. Phys. Chem. C. 122 (2018) 7945-7950. Read more...

  23. Nanoisozymes: Crystal Facet-Dependent Enzyme Mimetic Activity of V2O5 Nanomaterials.
    S. Ghosh, P. Roy, N. Karmodak, E.D. Jemmis, G. Mugesh
    Angew. Chem. Int. Ed. 57 (2018) 4510-4515.
    Read more...

  24. Synthesis, Structure, Bonding, and Reactivity of Metal Complexes Comprising Diborane(4) and Diborene(2): [{Cp*Mo(CO)2}2{μ-η2:η2-B2H4}] and [{Cp*M(CO)2}2B2H2M(CO)4], M=Mo,W.
    B. Mondal, R. Bag, S. Ghorai, K. Bakthavachalam, E.D. Jemmis, S. Ghosh
    Angew. Chem. Int. Ed. 57 (2018) 8079-8083.
    Read more...

  25. B-B Coupling and B-B Catenation: Computational Study of the Structure and Reactions of Metal-Bis(borylene) Complexes.
    S. Ghorai, E.D. Jemmis
    Chem. - A Eur. J. 24 (2018) 17844-17851. Read more...

  26. Fragment approach to the electronic structure of τ-boron allotrope.
    N. Karmodak, E.D. Jemmis
    Phys. Rev. B. 95 (2017). Read more...

  27. Contrasting Behavior of the Z Bonds in X-Z···Y Weak Interactions: Z = Main Group Elements Versus the Transition Metals.
    J. Joy, E.D. Jemmis
    Inorg. Chem. 56 (2017) 1132-1143. Read more...

  28. The dynamic behavior of the exohedral transition metal complexes of B40:η6 - and η7 - B40Cr(CO)3 and Cr(CO)3 - η7 - B40 - η7 - Cr(CO)3.
    N. Karmodak, E.D. Jemmis
    J. Chem. Sci. 129 (2017) 1061-1067. Read more...

  29. Approaches to Sigma Complexes via Displacement of Agostic Interactions: An Experimental and Theoretical Investigation.
    A. Ramaraj, K.H.K. Reddy, H. Keil, R. Herbst-Irmer, D. Stalke, E.D. Jemmis, B.R. Jagirdar
    Organometallics. 36 (2017) 2736-2745. Read more...

  30. A DFT Study on the Stabilization of the B≡B Triple Bond in a Metallaborocycle: Contrasting Electronic Structures of Boron and Carbon Analogues.
    S. Ghorai, E.D. Jemmis
    Chem. - A Eur. J. 23 (2017) 9746-9751. Read more...

  31. Consequence of Ligand Bite Angle on Bismuth Lewis Acidity.
    R. Kannan, S. Kumar, A.P. Andrews, E.D. Jemmis, A. Venugopal
    Inorg. Chem. 56 (2017) 9391-9395. Read more...

  32. The Role of Holes in Borophenes: An Ab Initio Study of Their Structure and Stability with and without Metal Templates.
    N. Karmodak, E.D. Jemmis
    Angew. Chem. Int. Ed. 56 (2017) 10093-10097. Read more...

  33. A halogen bond route to shorten the ultrashort sextuple bonds in Cr2 and Mo2.
    J. Joy, E.D. Jemmis
    Chem. Commun. 53 (2017) 8168-8171. Read more...

  34. Continuum in the X-Z-Y weak bonds: Z= main group elements.
    J. Joy, A. Jose, E.D. Jemmis
    J. Comput. Chem. 37 (2016) 270-279. Read more...

  35. One hundred years of Lewis Chemical Bond!
    E. Arunan, E.D. Jemmis, V. Subramanian
    J. Chem. Sci. 128 (2016) 1517-1518. Read more...

  36. Non-covalent C-Cl...π interaction in acetylene-carbon tetrachloride adducts: Matrix isolation infrared and ab initio computational studies.
    N. Ramanathan, K. Sundararajan, K. Vidya, E.D. Jemmis
    Spectrochim. Acta - Part A Mol. Biomol. Spectrosc. 157 (2016) 69-78. Read more...

  37. Computational design of Oligo-sulfuranes.
    C.P. Priyakumari, E.D. Jemmis
    J. Chem. Sci. 128 (2016) 1663-1669. Read more...

  38. Experimental and theoretical study of intramolecular O...O interaction in structurally rigid β-keto carboxylic esters.
    C. Sharma, A.K. Singh, J. Joy, E.D. Jemmis
    RSC Adv. 6 (2016) 91689-91693. Read more...

  39. Synthetic, Crystallographic, and Computational Studies of Extensively Hydrogen Bonded Bilayers in Thermally Stable Adamantane Hydroperoxides.
    C. Sharma, J. Joy, M. Nethaji, E.D. Jemmis, S.K. Awasthi
    Asian J. Org. Chem. 5 (2016) 1398-1405. Read more...

  40. Exohedral Complexation of B40, C60 and Arenes with Transition Metals: A Comparative DFT Study.
    N. Karmodak, E.D. Jemmis
    Chem. - An Asian J. 11 (2016) 3350-3354. Read more...

  41. Implication of a σ-Methane Complex en Route to Elimination of Methane from a Ruthenium Complex: An Experimental and Theoretical Investigation.
    R. Kumar, S. Ramakrishnan, E.D. Jemmis, B.R. Jagirdar
    Organometallics. 34 (2015) 1245-1254. Read more...

  42. Ketocyanine dyes: Impact of conjugation length on optical absorption and third-order polarizabilities.
    K. Yesudas, E.D. Jemmis, K. Bhanuprakash
    Phys. Chem. Chem. Phys. 17 (2015) 12988-12999. Read more...

  43. Negative hyperconjugation and red-, blue- or zero-shift in X-Z...Y complexes.
    J. Joy, E.D. Jemmis, K. Vidya
    Faraday Discuss. 177 (2015) 33-50. Read more...

  44. The self-association of graphane is driven by London dispersion and enhanced orbital interactions.
    C. Wang, Y. Mo, J.P. Wagner, P.R. Schreiner, E.D. Jemmis, D. Danovich, S. Shaik
    J. Chem. Theory Comput. 11 (2015) 1621-1630. Read more...

  45. Relative stabilities of condensed face sharing mono- and di-carboranes: CB20H18 and C2B19H18+.
    K. Vidya, E.D. Jemmis
    J. Organomet. Chem. 798 (2015) 91-98. Read more...

  46. Structural variations in aromatic 2π-electron three-membered rings of the main group elements.
    D. Mallick, E.D. Jemmis
    J. Chem. Sci. 127 (2015) 183-196. Read more...

  47. Metallacyclocumulenes: A theoretical perspective on the structure, bonding, and reactivity.
    S. Roy, U. Rosenthal, E.D. Jemmis
    Acc. Chem. Res. 47 (2014) 2917-2930. Read more...

  48. Unexpected mechanism for formal [2 + 2] cycloadditions of metallacyclocumulenes.
    S. Roy, E.D. Jemmis
    Curr. Sci. 106 (2014) 1249-1254. Read more...

  49. Designing stuffed hetero-fullerene nano-clusters: C26B46N12 and C14B58N12Li12.
    K. Vidya, E.D. Jemmis
    RSC Adv. 4 (2014) 30013-30018. Read more...

  50. Electron Counting Rules in Cluster Bonding - Polyhedral Boranes, Elemental Boron, and Boron-Rich Solids.
    C. P. Priyakumari and E. D. Jemmis
    The Chemical Bond: Chemical Bonding Across the Periodic Table, Wiley-VCH (2014) 113-147. Read more...

  51. Complexes of acetylene-fluoroform: A matrix isolation and computational study.
    K. Sundararajan, N. Ramanathan, K.S. Viswanathan, K. Vidya, E.D. Jemmis
    J. Mol. Struct. 1049 (2013) 69-77. Read more...

  52. Stabilization of diborane(4) by transition metal fragments and a novel metal to π Dewar-Chatt-Duncanson model of back donation.
    K. Hari Krishna Reddy, E.D. Jemmis
    Dalton Trans. 42 (2013) 10633-10639. Read more...

  53. P3F92-: An all-pseudo-π* 2π-aromatic.
    C.P. Priyakumari, E.D. Jemmis
    J. Am. Chem. Soc. 135 (2013) 16026-16029. Read more...

  54. Main Group Metal Clusters.
    Dibyendu Mallick and E. D. Jemmis
    Comprehensive Inorganic Chemistry II; Elsevier 9 (2013) 833-867. Read more...

  55. Theoretical evidence of the stabilization of an unusual four-membered metallacycloallene by a transition-metal fragment.
    S. Roy, E.D. Jemmis, A. Schulz, T. Beweries, U. Rosenthal
    Angew. Chem. Int. Ed. 51 (2012) 5347-5350. Read more...

  56. Polyhedral borane analogues of the benzynes and beyond: Bonding in variously charged B12H10 isomers.
    P.D. Pancharatna, M.M. Balakrishnarajan, E.D. Jemmis, R. Hoffmann
    J. Am. Chem. Soc. 134 (2012) 5916-5920. Read more...

  57. Reactivity of bispropargyl sulfones under basic conditions: Interplay between Garratt-Braverman and Schmittel/Myers-Saito cyclization pathway.
    R. Mukherjee, S. Mondal, A. Basak, D. Mallick, E.D. Jemmis
    Chem. - An Asian J. 7 (2012) 957-965. Read more...

  58. Experimental and theoretical studies of unusual four-membered metallacycles from reactions of group 4 metallocene bis(trimethylsilyl)acetylene complexes with the sulfurdiimide Me3SiN=S=NSiMe3.
    K. Kaleta, M. Ruhmann, O. Theilmann, S. Roy, T. Beweries, P. Arndt, A. Villinger, E.D. Jemmis, A. Schulz, U. Rosenthal
    Eur. J. Inorg. Chem. (2012) 611-617. Read more...

  59. (Dimethylamino)borylene and related complexes of electron-rich metal fragments: Generation of nucleophile-resistant cations by spontaneous halide ejection.
    D.A. Addy, N. Phillips, G.A. Pierce, D. Vidovic, T. Krämer, D. Mallick, E.D. Jemmis, G. Reid, S. Aldridge
    Organometallics. 31 (2012) 1092-1102. Read more...

  60. Reactions of titanocene bis(trimethylsilyl)acetylene complexes with carbodiimides: An experimental and theoretical study of complexation versus C-N bond activation.
    M. Haehnel, M. Ruhmann, O. Theilmann, S. Roy, T. Beweries, P. Arndt, A. Spannenberg, A. Villinger, E.D. Jemmis, A. Schulz, U. Rosenthal
    J. Am. Chem. Soc. 134 (2012) 15979-15991. Read more...

  61. Structure-activity relationship of photocytotoxic iron(III) complexes of modified dipyridophenazine ligands.
    S. Saha, D. Mallick, R. Majumdar, M. Roy, R.R. Dighe, E.D. Jemmis, A.R. Chakravarty
    Inorg. Chem. 50 (2011) 2975-2987. Read more...

  62. Cobalt(II) complexes of terpyridine bases as photochemotherapeutic agents showing cellular uptake and photocytotoxicity in visible light.
    S. Roy, S. Roy, S. Saha, R. Majumdar, R.R. Dighe, E.D. Jemmis, A.R. Chakravarty
    Dalton Trans. 40 (2011) 1233-1242. Read more...

  63. Structure and bonding in stannadiphospholes and their dianions SnC2P2R2m (R=H, tBu m=0, -2): A comparative study with C5H5+ and C5H5- analogues.
    K.H. Reddy, D. Usharani, J.F. Nixon, E.D. Jemmis
    Chem. - A Eur. J. 17 (2011) 9142-9152. Read more...

  64. Theoretical studies on the structure and bonding of metallacyclocumulenes, -cyclopentynes, and -cycloallenes.
    S. Roy, E.D. Jemmis, M. Ruhmann, A. Schulz, K. Kaleta, T. Beweries, U. Rosenthal
    Organometallics. 30 (2011) 2670-2679. Read more...

  65. Mechanism of gallic acid biosynthesis in bacteria (Escherichia coli) and walnut (Juglans regia).
    R.M. Muir, A.M. Ibáñez, S.L. Uratsu, E.S. Ingham, C.A. Leslie, G.H. McGranahan, N. Batra, S. Goyal, J. Joseph, E.D. Jemmis, A.M. Dandekar
    Plant Mol. Biol. 75 (2011) 555-565.
    Read more...

  66. Synthesis, characterization, and electronic structure of new type of heterometallic boride clusters.
    S.K. Bose, K. Geetharani, S. Sahoo, K.H.K. Reddy, B. Varghese, E.D. Jemmis, S. Ghosh
    Inorg. Chem. 50 (2011) 9414-9422. Read more...

  67. Reactions of group 4 metallocene alkyne complexes with carbodiimides: Experimental and theoretical studies of the structure and bonding of five-membered hetero-metallacycloallenes.
    K. Kaleta, M. Ruhmann, O. Theilmann, T. Beweries, S. Roy, P. Arndt, A. Villinger, E.D. Jemmis, A. Schulz, U. Rosenthal
    J. Am. Chem. Soc. 133 (2011) 5463-5473. Read more...

  68. Selectivity in Garratt-Braverman cyclization: An experimental and computational study.
    M. Maji, D. Mallick, S. Mondal, A. Anoop, S.S. Bag, A. Basak, E.D. Jemmis
    Org. Lett. 13 (2011) 888-891. Read more...

  69. Stuffed fullerenelike boron carbide nanoclusters.
    D.L.V.K. Prasad, E.D. Jemmis
    Appl. Phys. Lett. 96, 023108 (2010).
    Read more...

  70. Are metallocene-acetylene (M = Ti, Zr, Hf) complexes aromatic metallacyclopropenes?.
    E.D. Jemmis, S. Roy, V. V. Burlakov, H. Jiao, M. Klahn, S. Hansen, U. Rosenthal
    Organometallics. 29 (2010) 76-81. Read more...

  71. Generation of cationic two-coordinate group-13 ligand systems by spontaneous halide ejection: Remarkably nucleophile-resistant (dimethylamino)borylene complexes.
    D.A. Addy, G.A. Pierce, D. Vidovic, D. Mallick, E.D. Jemmis, J.M. Goicoechea, S. Aldridge
    J. Am. Chem. Soc. 132 (2010) 4586-4588. Read more...

  72. Vertex-fused metallaborane clusters: Synthesis, characterization and electronic structure of [(η5-C5Me5Mo) 3MoB9H18].
    R.S. Dhayal, S. Sahoo, K.H.K. Reddy, S.M. Mobin, E.D. Jemmls, S. Ghosh
    Inorg. Chem. 49 (2010) 900-904. Read more...

  73. A Theoretical Investigation of the Ni(II)-Catalyzed Hydrovinylation of Styrene, Organometallics.
    J. Joseph, T. V. RajanBabu, E.D. Jemmis
    Organometallics. 28 (2009) 3552-3566. Read more...

  74. Chlorinated hypoelectronic dimetallaborane clusters: Synthesis, characterization, and electronic structures of (η-C5Me 5W)2B5HnCIm, (n = 7, m = 2 and n = 8, m = 1).
    S. Sahoo, K.H.K. Reddy, R.S. Dhayal, S.M. Mobin, V. Ramkumar, E.D. Jemmis, S. Ghosh
    Inorg. Chem. 48 (2009) 6509-6516. Read more...

  75. Reactivity of cationic terminal borylene complexes: Novel mechanisms for insertion and metathesis chemistry involving strongly Lewis acidic ligand systems.
    S. De, G.A. Pierce, D. Vidovic, D.L. Kays, N.D. Coombs, E.D. Jemmis, S. Aldridge
    Organometallics. 28 (2009) 2961-2975. Read more...

  76. Half-sandwich group 8 borylene complexes: Synthetic and structural studies and oxygen atom abstraction chemistry.
    G.A. Pierce, D. Vidovic, D.L. Kays, N.D. Coombs, A.L. Thompson, E.D. Jemmis, S. De, S. Aldridge
    Organometallics. 28 (2009) 2947-2960. Read more...

  77. Electronic structure and bonding in neutral and dianionic boradiphospholes: R'BC2P2R2 (R = H, tBu, R'=H, Ph).
    D. Usharani, A. Poduska, J.F. Nixon, E.D. Jemmis
    Chem. - A Eur. J. 15 (2009) 8429-8442. Read more...

  78. Relative stability of closo-closo, closo-nido, and nido-nido macropolyhedral boranes: The role of orbital compatibility.
    O. Shameema, E.D. Jemmis
    Chem. - An Asian J. 4 (2009) 1346-1353. Read more...

  79. Closo versus hypercloso metallaboranes: A DFT study.
    O. Shameema, E.D. Jemmis
    Inorg. Chem. 48 (2009) 7818-7827. Read more...

  80. Which one is preferred: Myers-Saito cyclization of ene-yne-allene or Garratt-Braverman cyclization of conjugated bisallenic sulfone? A theoretical and experimental study.
    A. Basak, S. Das, D. Mallick, E.D. Jemmis
    J. Am. Chem. Soc. 131 (2009) 15695-15704. Read more...

  81. Sigma-Bond Prevents Short pi-Bonds: A Detailed Theoretical Study on the Compounds of Main Group and Transition Metal Complexes.
    B. Pathak, M. Umayal, E. D. Jemmis
    Practical Aspects of Computational Chemistry, Springer (2009) 165-181. Read more...

  82. Photophysical and duplex-DNA-binding properties of distamycin dimers based on 4,4'- and 2,2'-dialkoxyazobenzenes as the core.
    S. Ghosh, D. Usharani, S. De, E.D. Jemmis, S. Bhattacharya
    Chem. - An Asian J. 3 (2008) 1949-1961. Read more...

  83. Stuffing improves the stability of fullerenelike boron clusters.
    D.L.V.K. Prasad, E.D. Jemmis
    Physical Review Letters 100 (2008) 165504-165507 . Read more...

  84. Unknowns in the chemistry of boron.
    E.D. Jemmis, D.L.V.K. Prasad
    Curr. Sci. 95 (2008) 1277-1283. Read more...

  85. Structure and bonding in cyclic isomers of B2AlH nm (n = 3-6, m = - 2 to +1): A comparative study with B3Hnm, BAl2Hnm and Al3Hnm.
    D. Mallick, P. Parameswaran, E.D. Jemmis
    J. Phys. Chem. A. 112 (2008) 13080-13087. Read more...

  86. pH dependence of a 3-helix versus a turn in the M-loop region of PDE4: Observations on PDB entries and an electronic structure study.
    D. Usharani, L. Srivani, G.N. Sastry, E.D. Jemmis
    J. Chem. Theory Comput. 4 (2008) 974-984. Read more...

  87. Design, synthesis, and DNA binding properties of photoisomerizable azobenzene-distamycin conjugates: An experimental and computational study.
    S. Ghosh, D. Usharani, A. Paul, S. De, E.D. Jemmis, S. Bhattacharya
    Bioconjug. Chem. 19 (2008) 2332-2345. Read more...

  88. Differing reactivities of zirconium and titanium alkoxides with phenyl isocyanate: An experimental and computational study.
    A. Kumar, S. De, A.G. Samuelson, E.D. Jemmis
    Organometallics. 27 (2008) 955-960. Read more...

  89. Theoretical study of the reaction of B20H16 with MeCN: Closo/Closo to Closo/Nido conversion.
    O. Shameema, B. Pathak, E.D. Jemmis
    Inorg. Chem. 47 (2008) 4375-4382. Read more...

  90. Subtype Selectivity in Phosphodiesterase 4 (PDE4): A Bottleneck in Rational Drug Design.
    P. Srivani, D. Usharani, E. Jemmis, G. Sastry
    Curr. Pharm. Des. 14 (2008) 3854-3872. Read more...

  91. Orbital compatibility in the condensation of polyhedral boranes.
    O. Shameema, E.D. Jemmis
    Angew. Chem. Int. Ed. 47 (2008) 5561-5564. Read more...

  92. Heterolytic activation of H-X (X = H, Si, B, and C) bonds: An experimental and theoretical investigation.
    C.M. Nagaraja, P. Parameswaran, E.D. Jemmis, B.R. Jagirdar
    J. Am. Chem. Soc. 129 (2007) 5587-5596. Read more...

  93. Structure and bonding in cyclic isomers of BAl2H nm (n = 3-6, m = -2 to +1): Preference for planar tetracoordination, pyramidal tricoordination, and divalency.
    E.D. Jemmis, P. Parameswaran
    Chem. - A Eur. J. 13 (2007) 2622-2631. Read more...

  94. Bimetallic complexes of metallacyclopentynes: Cis versus trans and planarity versus nonplanarity.
    M.A. Bach, P. Parameswaran, E.D. Jemmis, U. Rosenthal
    Organometallics. 26 (2007) 2149-2156. Read more...

  95. A theoretical study on the mechanism of boron metathesis.
    S. De, P. Parameswaran, E.D. Jemmis
    Inorg. Chem. 46 (2007) 6091-6098. Read more...

  96. Red-, blue-, or no-shift in hydrogen bonds: A unified explanation.
    J. Joseph, E.D. Jemmis
    J. Am. Chem. Soc. 129 (2007) 4620-4632. Read more...

  97. Tandem Si-C and C-H activation for decamethylhafnocene and bis(trimethylsilyl)acetylene.
    T. Beweries, V. V. Burlakov, M.A. Bach, S. Peitz, P. Arndt, W. Baumann, A. Spannenberg, U. Rosenthal, B. Pathak, E.D. Jemmis
    Angew. Chem. Int. Ed. 46 (2007) 6907-6910. Read more...

  98. Electronic structure and bonding studies on triple-decker sandwich complexes with a P6 middle ring.
    D. Usharani, D.L.V.K. Prasad, J.F. Nixon, E.D. Jemmis
    J. Comput. Chem. 28 (2007) 310-319. Read more...

  99. New insights into the visible-light-induced DNA cleavage activity of dipyridoquinoxaline complexes of bivalent 3d-metal ions.
    M. Roy, B. Pathak, A.K. Patra, E.D. Jemmis, M. Nethaji, A.R. Chakravarty
    Inorg. Chem. 46 (2007) 11122-11132. Read more...

  100. Reversal of stability on metalation of pentagonal-bipyramidal (1-MB6H72- , 1-M-2-CB5H71- , and 1-M-2,4-C2B4H7) and Icosahedral (1-MB11H122- , 1-M-2-CB10H121-.
    B. Pathak, S. Pandian, N. Hosmane, E.D. Jemmis
    J. Am. Chem. Soc. 128 (2006) 10915-10922. Read more...

  101. Boron and MgB2 analogs of fullerenes and carbon nanotubes: A density functional theory study.
    D.L.V.K. Prasad, E.D. Jemmis
    J. Mol. Struct. THEOCHEM. 771 (2006) 111-115. Read more...

  102. Icosahedral B12, macropolyhedral boranes, β-rhombohedral boron and boron-rich solids.
    E.D. Jemmis, D.L.V.K. Prasad
    J. Solid State Chem. 179 (2006) 2768-2774. Read more...

  103. Hypercarbons in polyhedral structures.
    E.D. Jemmis, E.G. Jayasree, P. Parameswaran
    Chem. Soc. Rev. 35 (2006) 157-168. Read more...

  104. Bond length and bond multiplicity: σ-bond prevents short π-bonds.
    E.D. Jemmis, B. Pathak, R.B. King, H.F. Schaefer
    Chem. Commun. (2006) 2164-2166. Read more...

  105. Electrostatic repulsion as an additional selectivity factor in asymmetric proline catalysis.
    J. Joseph, D.B. Ramachary, E.D. Jemmis
    Org. Biomol. Chem. 4 (2006) 2685-2689. Read more...

  106. Characteristics of novel sandwiched beryllium, magnesium, and calcium dimers: C5H5BeBeC5H5, C 5H5MgMgC5H5, and C5H 5CaCaC5H5.
    Y. Xie, H.F. Schaefer, E.D. Jemmis
    Chem. Phys. Lett. 402 (2005) 414-421. Read more...

  107. Binuclear organometallic compounds containing planar tetra co-ordinated carbon atoms: Theoretical study on geometrical and bonding patterns.
    E.D. Jemmis, P. Parameswaran, A.K. Phukan
    Mol. Phys. 103 (2005) 897-903. Read more...

  108. Electronic structure and bonding of β-rhombohedral boron using cluster fragment approach.
    D.L.V.K. Prasad, M.M. Balakrishnarajan, E.D. Jemmis
    Phys. Rev. B - Condens. Matter Mater. Phys. 72 (2005) 195102. Read more...

  109. Condensed two- and three-dimensional aromatic systems: A theoretical study on the relative stabilities of isomers of CB19H16, B20H15Cl, and B20H14Cl2.
    E.D. Jemmis, B. Pathak, A. Anoop
    Inorg. Chem. 44 (2005) 7184-7188. Read more...

  110. Theoretical studies in organolithium chemistry.
    E.D. Jemmis, G. Gopakumar
    The Chemistry of Organolithium Compounds, John Wiley & Sons, Ltd, Chichester, UK (2004) 1-45.
    Read more...

  111. Reduction of 1,4-dichlorobut-2-yne by titanocene to a 1,2,3-butatriene. Formation of a 1-titanacyclopent-3-yne and a 2,5-dititanabicyclo[2.2.0]hex-1(4)- ene.
    V. V. Burlakov, P. Arndt, W. Baumann, A. Spannenberg, U. Rosenthal, P. Parameswaran, E.D. Jemmis
    Chem. Commun. 10 (2004) 2074-2075.
    Read more...

  112. Does a Sterically Bulky Group Occupy the Equatorial Site in Trigonal Bipyramidal Phosphorus?.
    P. Kommana, N.S. Kumar, J.J. Vittal, E.G. Jayasree, E.D. Jemmis, K.C.K. Swamy
    Org. Lett. 6 (2004) 145-148. Read more...

  113. Structure, reactivity and aromaticity of acenes and their BN analogues: A density functional and electrostatic investigation.
    A.K. Phukan, R.P. Kalagi, S.R. Gadre, E.D. Jemmis
    Inorg. Chem. 43 (2004) 5824-5832. Read more...

  114. Structure and Neutral Homoaromaticity of Metallacyclopentene, -pentadiene, -pentyne, and -pentatriene: A Density Functional Study.
    E.D. Jemmis, A.K. Phukan, H. Jiao, U. Rosenthal
    Organometallics. 22 (2003) 4958-4965. Read more...

  115. Effect of Metal Complexation on Ring Opening of Bowl-Shaped Hydrocarbons: Theoretical Study.
    E.D. Jemmis, P. Parameswaran, A. Anoop
    Int. J. Quantum Chem. 95 (2003) 810-815. Read more...

  116. Face-selectivity in [4+2]-cycloadditions to novel polycyclic benzoquinones. Remarkable stereodirecting effects of a remote cyclopropane ring and an olefinic bond.
    G. Mehta, C. Le Droumaguet, K. Islam, A. Anoop, E.D. Jemmis
    Tetrahedron Lett. 44 (2003) 3109-3113. Read more...

  117. Nonplanarity at Tri-coordinated Aluminum and Gallium: Cyclic Structures for X3Hnm (X = B, Al, Ga).
    G.N. Srinivas, A. Anoop, E.D. Jemmis, T.P. Hamilton, K. Lammertsma, J. Leszczynski, H.F. Schaefer
    J. Am. Chem. Soc. 125 (2003) 16397-16407. Read more...

  118. Boron, Borides and Boranes.
    E.D. Jemmis
    Proceedings of Asia Academic Seminar on New Materials, ARCI (India) and JSPS (Japan) (2003) 19-26. Read more...

  119. Ab-initio molecular orbital studies on the structural isomers of C3Si2H4.
    E.D. Jemmis, R. Saradha, A. Saieswari, E.G. Jayasree
    Indian J. Chem. - Sect. A Inorganic, Phys. Theor. Anal. Chem. 42 (2003) 2382-2391. Read more...

  120. Condensed polyhedral boranes and analogous organometallic clusters: A molecular orbital and density functional theory study on the cap-cap interactions.
    E.D. Jemmis, P.D. Pancharatna
    Appl. Organomet. Chem. 17 (2003) 480-492. Read more...

  121. The Rearrangement of Dicarboranyl Methyl Cation: A Possible Synthetic Strategy Toward Cationic closo-Tricarbaboranes.
    E.D. Jemmis, E.G. Jayasree
    Inorg. Chem. 42 (2003) 7725-7727. Read more...

  122. Stabilization of tricoordinate pyramidal boron: Theoretical studies on CBSiH5, BSi2H5, CBGeH5, and CBSnH5.
    K.T. Giju, A.K. Phukan, E.D. Jemmis
    Angew. Chem. Int. Ed. 42 (2003) 539-542. Read more...

  123. Analogies between Boron and Carbon.
    E.D. Jemmis, E.G. Jayasree
    Acc. Chem. Res. 36 (2003) 816-824. Read more...

  124. Magic Electron Counts and Bonding in Tubular Boranes.
    M.M. Balakrishnarajan, R. Hoffmann, P.D. Pancharatna and E.D. Jemmis
    Inorg. Chem. 42 (2003) 4650-4659 Read more...

  125. Electronic Requirements for Macropolyhedral Boranes.
    E.D. Jemmis, M.M. Balakrishnarajan, P.D. Pancharatna
    Chem. Rev. 102 (2002) 93-144. Read more...

  126. The Relation Between Polyhedral Borane Sandwiches and Endohedral Complexes; the Electronic Structure and Stability of X@YmBnHn+mq (X = He, Ne, Li, Be; Y = B, C, Si; m = 0-3; n = 12-9; q = -2 to +2), (C2B4H6)2Xq (X = Li, Al, Si; q = -3, -1, 0) and X2@B17H1.
    E.D. Jemmis, E.G. Jayasree
    Collect. Czechoslov. Chem. Commun. 67 (2002) 965-990. Read more...

  127. Will an η3 -Si3H3 Ligand Form Sandwich Compounds with Main Group Elements? [ J. Am. Chem. Soc. 122 (2000) 1725-1728]
    G.N. Srinivas, T.P. Hamilton, E.D. Jemmis, M.L. McKee, K. Lammertsma
    J. Am. Chem. Soc. 122 (2002) 3799-3799. Read more...

  128. Dependence of the structure and stability of cyclocumulenes and cyclopropenes on the replacement of the CH2 group by titanocene and zirconocene: A density functional theory study.
    E.D. Jemmis, A.K. Phukan, K.T. Giju
    Organometallics. 21 (2002) 2254-2261. Read more...

  129. Control of stability through overlap matching: Closo-carborynes and closo-silaborynes.
    B. Kiran, A. Anoop, E.D. Jemmis
    J. Am. Chem. Soc. 124 (2002) 4402-4407. Read more...

  130. Structures, stabilities, and ionization potentials of dodecahedrane endohedral complexes.
    D. Moran, F. Stahl, E.D. Jemmis, H.F. Schaefer, P.V.R. Schleyer
    J. Phys. Chem. A. 106 (2002) 5144-5154. Read more...

  131. Cationic closo carboranes - promising weakly coordinating ions.
    E.D. Jemmis, M. Ramalingam, E.G. Jayasree
    J. Comput. Chem. 22 (2001) 1542-1551. Read more...

  132. Is borazine aromatic? Unusual parallel behavior between hydrocarbons and corresponding B-N analogues.
    B. Kiran, A.K. Phukan, E.D. Jemmis
    Inorg. Chem. 40 (2001) 3615-3618. Read more...

  133. Missing hydrogens in B19H20-? Application of electron counting rule for edge-sharing macropolyhedral boranes.
    E.D. Jemmis, M.M. Balakrishnarajan, P.D. Pancharatna
    Inorg. Chem. 40 (2001) 1730-1731. Read more...

  134. Polyhedral boranes and elemental boron: Direct structural relations and diverse electronic requirements.
    E.D. Jemmis, M.M. Balakrishnarajan
    J. Am. Chem. Soc. 123 (2001) 4324-4330. Read more...

  135. A theoretical study of transition metal complexes of C60 and C70 and their ring-opened alternatives.
    E.D. Jemmis, P.K. Sharma
    J. Mol. Graph. Model. 19 (2001) 256-265. Read more...

  136. Structure and bonding of metallacyclocumulenes, radialenes, butadiyne complexes and their possible interconversion: A theoretical study.
    E.D. Jemmis, A.K. Phukan, U. Rosenthal
    J. Organomet. Chem. 635 (2001) 204-211. Read more...

  137. A unifying electron-counting rule for macropolyhedral boranes, metallaboranes, and metallocenes.
    E.D. Jemmis, M.M. Balakrishnarajan, P.D. Pancharatna
    J. Am. Chem. Soc. 123 (2001) 4313-4323. Read more...

  138. C-H...π interactions involving acetylene: An ab initio MO study.
    E.D. Jemmis, G. Subramanian, A. Nowek, R.W. Gora, R.H. Sullivan, J. Leszczynski
    J. Mol. Struct. 556 (2000) 315-320. Read more...

  139. The Relation Between Polymorphs of Elements and Their Compounds: The Story of Boron.
    E.D. Jemmis
    Indian Science Congress 2000 Pune; Published by CSIR New Delhi (2000). Read more...

  140. Aza-bowls: Synthesis and molecular structure of triaza-[3]-peristylane.
    G. Mehta, R. Vidya, P.K. Sharma, E.D. Jemmis
    Tetrahedron Lett. 41 (2000) 2999-3002. Read more...

  141. Electronic requirements of polycondensed polyhedral boranes [5].
    M.M. Balakrishnarajan, E.D. Jemmis
    J. Am. Chem. Soc. 122 (2000) 4516-4517. Read more...

  142. Ab initio predictions on novel stuffed polyhedral boranes [4].
    E.D. Jemmis, M.M. Balakrishnarajan
    J. Am. Chem. Soc. 122 (2000) 7392-7393. Read more...

  143. Will an η3-Si3H3 ligand form sandwich compounds with main group elements?.
    G.N. Srinivas, T.P. Hamilton, E.D. Jemmis, M.L. McKee, K. Lammertsma
    J. Am. Chem. Soc. 122 (2000) 1725-1728. Read more...

  144. Exohedral η5- and η6-Transition Metal Organometallic Complexes of C60 and C70: A Theoretical Study.
    E.D. Jemmis, M. Manoharan and P.K. Sharma
    Organometallics 19 (2000) 1879-1887. Read more...

  145. Generation and Identification of Ionic and Neutral Dithioformic Acid [HC(S)SH], Dimercaptocarbene [HSCSH]+/., and Dithiirane [H2C(S2)]+/.: A Neutralization - Reionization Mass Spectrometry and Theoretical Study.
    S. Vivekananda, R. Srinivas, M. Manoharan and E.D.Jemmis
    J. Phys. Chem. 103 (1999) 5123-5128. Read more...

  146. An ab initio MO Study of the Diverse Si3 H3+ Isomers.
    G.N. Srinivas, E.D. Jemmis, A.A. Korkin and P.v.R. Schleyer
    J. Phys. Chem. 103 (1999) 11034-11039. Read more...

  147. Generation and characterization of ionic and neutral thiocarbonylthiocyanate [S=C=S - C≃N](+/0) by neutralization-reionization mass spectrometry [1].
    S. Vivekananda, R. Srinivas, M.M. Balakrishnarajan, E.D. Jemmis
    Rapid Commun. Mass Spectrom. 13 (1999) 971-974. Read more...

  148. Strategies to stabilize exohedral η5-and η6-fullerene transition metal organometallic complexes: A molecular orbital treatment.
    E.D. Jemmis, M. Manoharan
    Curr. Sci. 76 (1999) 1122-1126. Read more...

  149. Ubiquitous icosahedral B12 in boron chemistry.
    E.D. Jemmis, M.M. Balakrishnarajan
    Bull. Mater. Sci. 22 (1999) 863-867. Read more...

  150. Chiral recognition and the determination of optical purity of some amino acid ester salts using monosaccharides as chiral selectors under liquid secondary ion mass spectral conditions.
    P. Krishna, S. Prabhakar, M. Manoharan, E.D. Jemmis, M. Vairamani
    Chem. Commun. (1999) 1215-1216. Read more...

  151. [n]Peristylanes and [n]oxa[n]peristylanes (n = 3-6): A theoretical study.
    P.K. Sharma, E.D. Jemmis, R. Vidya, G. Mehta
    J. Chem. Soc. Perkin Trans. 2. (1999) 257-262. Read more...

  152. X-ray crystallographic and theoretical studies of substituted phenyl 3,5-di[N-methyl] carbamoyl-1,4-dihydropyridines: Targets for Ca2+ antagonist.
    M.B. Sagar, K. Ravikumar, S. Mehdi, Y.S. Sadanandam, K.T. Giju, E.D. Jemmis
    J. Chem. Crystallogr. 29 (1999) 481-491. Read more...

  153. An ab initio and matrix isolation infrared study of the 1:1 C2H2- CHCl3 adduct.
    E.D. Jemmis, K.T. Giju, K. Sundararajan, K. Sankaran, V. Vidya, K.S. Viswanathan, J. Leszczynski
    J. Mol. Struct. 510 (1999) 59-68. Read more...

  154. Aromaticity in X3Y3H6 (X = B, Al, Ga; Y = N, P, As), X3Z3H3 (Z = O, S, Se), and Phosphazenes. Theoretical Study of the Structures, Energetics, and Magnetic Properties.
    E.D. Jemmis and B. Kiran
    Inorg. Chem. 37 (1998) 2110-2116. Read more...

  155. "Isolobal Relationships" in "The Encyclopedia of Computational Chemistry"
    E.D. Jemmis and K.T. Giju
    John Wiley Sons: Chichester 2 (1998) 1449-1455. Read more...

  156. Ab initio HF and density functional theory studies of C60@Si60.
    E.D. Jemmis, J. Leszczynski, E. Osawa
    Fuller. Sci. Technol. 6 (1998) 271-281. Read more...

  157. Novel mechanism for interesting C-C coupling and cleavage reactions and control of thermodynamic stability involving [L2M(μ-CCR)2ML2] and [L2M(μ-RCC-CCR)ML2] complexes (M = Ti, Zr; L = η5-C5H5, Cl, H; R = H, F, CN): A theoretical study.
    E.D. Jemmis, K.T. Giju
    J. Am. Chem. Soc. 120 (1998) 6952-6964. Read more...

  158. Ionic to Covalent Bonding: A Density FunctionalTheory Study of the Linear and Bent X2Y3 monomers (X = B, Al, Ga, In; Y= O, S, Se).
    K.T. Giju, E.D. Jemmis and J. Leszczynski
    Electronic Journal of Chemistry. 2 (1997) 130-138. Read more...

  159. Organometallic Analogs of cyclobutadiene dication: An ab initio MO and Density Functional study of the symmetrical Planar and Puckered [WL2(m-CR)]2complexes (L = H, Me, F, OH; R = H, F, Me).
    E.D. Jemmis and K.T. Giju
    Organometallics 16 (1997) 1425-1429. Read more...

  160. The Exotic Structures of Si2B2H4 Isomers.
    E.D. Jemmis, G. Subramanian, A.A. Korkin, M. Hofmann and P.v.R. Schleyer
    J. Phys. Chem. 101 (1997) 919-925. Read more...

  161. H-bridged structures for tetrahedranes A4H4 (A = C, Si, Ge, Sn, and Pb).
    G.N. Srinivas, E.D. Jemmis
    J. Am. Chem. Soc. 119 (1997) 12968-12973. Read more...

  162. The remarkably stabilized trilithiocyclopropenium ion, C3Li3+, and its relatives.
    E.D. Jemmis, G. Subramanian, A.J. Kos, P.V.R. Schleyer
    J. Am. Chem. Soc. 119 (1997) 9504-9512. Read more...

  163. To Couple or Not to Couple: The Dilemma of Acetylide Carbons in [(η5-C5H5)2M(μ-CCR) 2M(η5-C5H5)2] Complexes (M = Ti, Zr) - A Theoretical Study for R = H, F.
    E.D. Jemmis, K.T. Giju
    Angew. Chem. Int. Ed. 36 (1997) 606-608. Read more...

  164. Structure and bonding in B10X2H10 (X = C and Si). The kinky surface of 1,2-dehydro-o-disilaborane.
    E.D. Jemmis, B. Kiran
    J. Am. Chem. Soc. 119 (1997) 4076-4077. Read more...

  165. Ab initio studies on disubstituted closo-icosahedral heteroboranes, X2B10H10 (X = CH, SiH, N, P, and Sb).
    E.D. Jemmis, B. Kiran, D. Coffey
    Chem. Ber. 130 (1997) 1147-1150. Read more...

  166. Tautomeric rearrangements in mono- and dichalcogenide analogs of formic acid, HC(X)YH (X, Y = O, S, Se, Te) : A theoretical study.
    E.D. Jemmis, K.T. Giju, J. Leszczynski
    J. Phys. Chem. A. 101 (1997) 7389-7395. Read more...

  167. Contrasting stabilities of classical and bridged pyramidal Si3H3X molecules (X = BH-, CH, N, NH+, NO, SiH, P, PH+, and PO).
    E.D. Jemmis, G.N. Srinivas
    J. Am. Chem. Soc. 118 (1996) 3738-3742. Read more...

  168. Bond localization in annelated benzenes: An additivity scheme.
    E.D. Jemmis, B. Kiran
    J. Org. Chem. 61 (1996) 9006-9008. Read more...

  169. Molecular electrostatic potential topographical studies on the structural motifs of C60.
    E.D. Jemmis, G. Subramanian, G. N. Sastry, G. Mehta, R.N. Shirsat, S.R. Gadre
    J. Chem. Soc. Perkin Trans. 2 (1996) 2343-2346. Read more...

  170. An ab initio MO Study of Perfluoro-effect in Thermal Cyclization of Buta-1,3-diene to Cyclobutene.
    K.T. Giju and E.D.Jemmis
    J. Mol. Struct. Theochem. 388 (1996) 201-208. Read more...

  171. Geometries of Three-Membered Rings in Triangulanes and Spirocyclopropanated Bicyclopropylidenes: Experimental Studies and a General Bond Increment Scheme.
    R. Boese, T. Haumann, E.D. Jemmis, B. Kiran, S. Kozhushkov and A. de Meijere
    Liebigs Ann. (1996) 913-919. Read more...

  172. ab initio Study of the Eight-Vertex closo-Heteroboranes X2B6H, (X=CH, SiH, GeH, SnH, and PbH), Is the Hexagonal Bipyramid a viablealternative?
    E.D. Jemmis, G. Subramanian and M.L. McKee
    J. Phys. Chem. 100 (1996) 7014-7017. Read more...

  173. Elemental Boron Route to Stuffed Fullerenes.
    E.D. Jemmis, and B. Kiran
    In Computational Chemistry: Reviews of Current Trends, 1 (1996) 175-184. Read more...

  174. H-Bridged Alternatives to the Homologues of Cyclopropane.
    G.N. Srinivas, B. Kiran and E.D. Jemmis
    J. Mol. Str. Theochem., 361, 205-210 (1996). Read more...

  175. (SiC)60, An Idealized Inverse Superatom?
    S. Osawa, M. Harada, E. Osawa, B. Kiran, E.D. Jemmis
    Fullerene Science and Technology 2 (1995) 225-239. Read more...

  176. Short Synthetic Approach Towards Triindenotriphenylene (Hemifullerene) System.
    G. Mehta, G.V.R.Sharma, M.A. Krishnakumar, T.V. Vedavyasa and E.D. Jemmis
    J. Chem. Soc. Perkin Trans. 1 (1995) 2529-2530. Read more...

  177. B3H3X3+ (X = H, F, and Li): Ab Initio MO Study.
    E.D. Jemmis, G. Subramanian
    Inorg. Chem. 34 (1995) 6559-6561. Read more...

  178. Electronic structure of X(2)Y(3) molecules (X=B,Al,Ga; Y=O,S): A theoretical study.
    E.D. Jemmis, G. Subramanian, S.S. Kumar, J. Leszczynski
    Proc. Indian Acad. Sci. - Chem. Sci. 107 (1995) 423-429. Read more...

  179. Group 14 Analogs of the Cyclopropenium Ion: Do They Favor Classical Aromatic Structures?.
    E.D. Jemmis, G.N. Srinivas, J. Leszczynski, J. Kapp, A.A. Korkin, P.v.R. Schleyer
    J. Am. Chem. Soc. 117 (1995) 11361-11362. Read more...

  180. Closo-boranes, -carboranes, and -silaboranes: A topographical study using electron density and molecular electrostatic potential.
    E.D. Jemmis, G. Subramanian, I.H. Srivastava, S.R. Gadre
    J. Phys. Chem. 98 (1994) 6445-6451. Read more...

  181. Electronic structure and stability of closo-heteroboranes, XYBnHn (n = 3-5; X, Y = N, CH, P, and SiH): An ab initio MO study.
    E.D. Jemmis, G. Subramanian
    J. Phys. Chem. 98 (1994) 9222-9226. Read more...

  182. Torsional barriers in H2B=XCH3 (X = NH, O, PH, and S).
    E.D. Jemmis, G. Subramanian
    J. Phys. Chem. 98 (1994) 8937-8939. Read more...

  183. Isomer Preferences in 5-, 6-, and 7-Vertex Monoheteroboranes - A Theoretical Study.
    E.D. Jemmis, G. Subramanian, B. V. Prasad
    Inorg. Chem. 33 (1994) 2046-2048. Read more...

  184. Pyramidal Structures with a B3H6 Ring. Possibility of Terminal Hydrogens opposite the Capping Group.
    E.D. Jemmis, G. Subramanian, N. Srinivas
    Inorg. Chem. 33 (1994) 2317-2319. Read more...

  185. A covalent way to stuff fullerenes.
    E.D. Jemmis, B. Kiran
    Curr. Sci. 66 (1994) 766-767. Read more...

  186. Possibility of bond stretch isomerism in [Cp(CO)2M]2(μ-E) complexes (M = Mn, Re, Cr and W; E S, Se and Te); a molecular orbital study.
    E.D. Jemmis, P.N.V.P. Kumar, G.N. Sastry
    J. Organomet. Chem. 478 (1994) 29-36. Read more...

  187. Ab initio MO studies on the isomers of Si2BH3.
    G. Subramanian, E.D. Jemmis, B. V. Prasad
    Chem. Phys. Lett. 217 (1994) 296-301. Read more...

  188. Silicon-Coated Fullerenes, (SiC) n , n = 20 to 60. Preliminary Evaluation of a New Class of Heterofullerenes.
    M. Harada, S. Osawa, E. Osawa, E.D. Jemmis
    Chem. Lett. 23 (1994) 1037-1040. Read more...

  189. Synthetic strategies towards C70: molecular mechanics and MNDO calculations on pinakene, C28H14 and related molecules.
    E.D. Jemmis, G.N. Sastry, G. Mehta
    J. Chem. Soc. Perkin Trans. 2. (1994) 437. Read more...

  190. An approach to functionalized cubanes. Regioselectivities and frontier molecular orbital analysis in the addition of dimethyl cyclobutadiene-1,2-dicarboxylate to quinones.
    G. Mehta, M.B. Viswanath, E.D. Jemmis, G.N. Sastry
    J. Chem. Soc. Perkin Trans. 2.(1994) 433. Read more...

  191. Electronic structure study of the reactivity centres in Ti8C12 clusters.
    G.N. Srinivas, H. Srinivas, E.D. Jemmis
    Proc. Indian Acad. Sci. - Chem. Sci. 106 (1994) 169-181. Read more...

  192. Contrasting structures of pyramidal carbocations and their silicon analogues.
    E.D. Jemmis, G. Subramanian, B. V. Prasad, S. Tsuzuki, K. Tanabe
    Angew. Chem. Int. Ed. 32 (1993) 865-867. Read more...

  193. Structure of μ-S2CPR3 Complexes. Direction of Tilting and Compatibility of Fragment Orbitals.
    E.D. Jemmis, G. Subramanian, B. V. Prasad
    Organometallics. 12 (1993) 4267-4268. Read more...

  194. Synthetic strategies towards C60. Molecular mechanics and MNDO study on sumanene and related structures
    G.N. Sastry, E.D. Jemmis, G. Mehta, S.R. Shah
    J. Chem. Soc. Perkin Trans. 2 (1993) 1867-1871. Read more...

  195. Structure and stabilities of the isomers of SiB2H4: Chem. Phys. Lett. 200 (1992) 567.
    G. Subramanian, E.D. Jemmis
    Chem. Phys. Lett. 204 (1993) 393. Read more...

  196. Close-Silaboranes and closo-Carboranes: Contrasting Relative Stabilities and Breakdown of the Rule of Topological Charge Stabilization.
    E.D. Jemmis, L. Radom, G. Subramanian
    J. Am. Chem. Soc. 114 (1992) 1481-1483. Read more...

  197. Electronic Structure of Triple-Decker Sandwich Complexes with P6 Middle Rings. Synthesis and X-ray Structure Determination of Bis(η5-1,3-di-tert-butylcyclopentadienyl)(μ-η6:η6-hexaphosphorin)diniobium.
    A.C. Reddy, E.D. Jemmis, O.J. Scherer, R. Winter, G. Heckmann, G. Wolmershäuser
    Organometallics. 11 (1992) 3894-3900. Read more...

  198. Helides of carbon and silicon: an ab initio study of their geometric and electronic structures.
    E.D. Jemmis, M.W. Wong, H.B. Bürgi, L. Radom
    J. Mol. Struct. THEOCHEM. 261 (1992) 385-401. Read more...

  199. Structure and stabilities of the isomers of SiB2H4.
    G. Subramanian, E.D. Jemmis
    Chem. Phys. Lett. 200 (1992) 567-572. Read more...

  200. Quest for Higher Ladderanes: Oligomerization of a Cyclobutadiene Derivative.
    G. Mehta, M.B. Viswanath, G.N. Sastry, E.D. Jemmis, D.S.K. Reddy, A.C. Kunwar
    Angew. Chem. Int. Ed. 31 (1992) 1488-1490. Read more...

  201. Electronic Structure and Reactivity of Carbynyl Cation (CR+) Bridged Binuclear Transition-Metal Complexes.
    E.D. Jemmis, B. V. Prasad
    Organometallics. 11 (1992) 2528-2533. Read more...

  202. Boron Analogs of Cyclopropenium Cation: B3H6+, the First Three-Membered Nonplanar 2π Aromatic.
    E.D. Jemmis, G. Subramanian
    J. Am. Chem. Soc. 114 (1992) 7939-7941. Read more...

  203. Investigation of intramolecular interactions in n-alkanes. Cooperative energy increments associated with gg and gtg' sequences.
    S. Tsuzuki, L. Schäfer, H. Gotē, E.D. Jemmis, H. Hosoya, K. Siam, K. Tanabe, E. Ōsawa
    J. Am. Chem. Soc. 113 (1991) 4665-4671. Read more...

  204. Electronic Origin for the Geometric Preferences of HM3(CO)10(μ-CR) Compounds.
    E.D. Jemmis, B. V. Prasad
    Organometallics. 10 (1991) 3613-3620. Read more...

  205. Molecular orbital study of the structure and stability of transition metal polyhedral borane complexes. Position of bridging hydrogens.
    E.D. Jemmis, P.N.V.P. Kumar, G.N. Sastry
    Polyhedron. 9 (1990) 2359-2370. Read more...

  206. Dyotropic rearrangements of Cp2Zr ligand complexes; a theoretical study.
    G.N. Sastry, E.D. Jemmis
    J. Organomet. Chem. 388 (1990) 289-299. Read more...

  207. Structure and bonding in metallocenes and oligomers.
    E.D. Jemmis, A.C. Reddy
    Proc. Indian Acad. Sci. - Chem. Sci. 102 (1990) 379-393. Read more...

  208. Analogy between trivalent boron and divalent silicon.
    E.D. Jemmis, B. V. Prasad, S. Tsuzuki, K. Tanabe
    J. Phys. Chem. 94 (1990) 5530-5535. Read more...

  209. Electronic Structure and Bonding in Tetradecker Sandwich Complexes.
    E.D. Jemmis, A.C. Reddy
    J. Am. Chem. Soc. 112 (1990) 722-727. Read more...

  210. Isolobal analogy between trivalent boron and divalent silicon.
    E.D. Jemmis, PV A Prasad, B. V. Prasad, S. Tsuzuki, K. Tanabe
    Proc. Ind. Acad. Sci. - Chem. Sci. 102 (1990) 107-115. Read more...

  211. Application of DataBase in Transition Metal Organometallic Reaction Mechanisms.
    E.D. Jemmis, G.N. Sastry
    Proceedings of Seminar-cum-Workshop on Database Application in Physical Sciences ed. T.K. Ghosh and K. Guruvayurappan, BARC, Bombay (1990) 10-17. Read more...

  212. Computational studies of prismane, helvetane/israelane and asterane.
    E.D. Jemmis, E. Osawa, J.M.Rudzinski, D.A. Barbiric
    Proceedings of the NATO Advanced Research Workshop, ed. A. de Meijere, D. Reidel Publ., New York (1989). Read more...

  213. Site-and regioselective π4S + π2S cycloaddition of nitrileoxides to pyridazin-3-ones: Formation of novel 3a, 7a-dihydroisoxazolo[4, 5-d]pyridazin-4-ones.
    T.N. Srinivasan, P.B. Sattur, K.R. Rao, A.S.B. Prasad, E.D. Jemmis
    J. Heterocycl. Chem. 26 (1989) 553-555. Read more...

  214. Theoretical studies on the stabilities of 1,2- and 1,3-isomers of cyclic H4A2X2 (A=C, Si; X=0, S, CH2). The anomeric effect at Si.
    P.N.V. Pavan Kumar, D.-X. Wang, B. Lam, T.A. Albright, E.D. Jemmis
    J. Mol. Struct. 194 (1989) 183-190.
    Read more...

  215. Theoretical studies on (μ-S2CR) bridged cyclopentadienyl molybdenum dimers.
    B. V. Prasad, C. Satyanarayana Reddy, E.D. Jemmis
    Inorganica Chim. Acta. 162 (1989) 281-285. Read more...

  216. The Richness of Structures Available to CpMS4MCp Complexes.
    W. Tremel, R. Hoffmanr, E.D. Jemmis
    Inorg. Chem. 28 (1989) 1213-1224. Read more...

  217. Structure and Bonding in L2M(μ-CCR)2ML2 and L2M(μ-RC4R)ML2 (L2M = Cp2Zr, Cp2Ti, R2Al, R(NR3)Be, (tmpda)Li, H2B, and H2C+). A Molecular Orbital Study.
    P.N. Pavan Kumar, E.D. Jemmis
    J. Am. Chem. Soc. 110 (1988) 125-131. Read more...

  218. To tilt or not to tilt? The dilemma of μ-C3R3 ligands in binuclear complexes,
    E.D. Jemmis, B. V. Prasad
    J. Organomet. Chem. 347 (1988) 401-411.
    Read more...

  219. Theoretical studies of (μ-CR) bridging complexes.
    E.D. Jemmis, B. V. Prasad
    Polyhedron. 7 (1988) 871-879.
    Read more...

  220. Structures and energies of [n]-prismanes.
    E.D. Jemmis, J.M. Rudzinski and E. Osawa
    Chem. Exp. 3 (1988) 109-112.

  221. Electronic Structure of Triple-Decker Sandwich Compounds with P5, P6, As5, and CnHn as Middle Rings.
    E.D. Jemmis, A.C. Reddy
    Organometallics. 7 (1988) 1561-1564. Read more...

  222. Theoretical and experimental study of [2+2]-photoclosure approachtoward [7]-prismane analogs.
    G. Mehta, S. Padma, E.D. Jemmis, G. Leela, E. Osawa, D.A. Barbiric
    Tetrahedron Lett. 29 (1988) 1613-1616. Read more...

  223. Structure and bonding in (R2SiX)2 molecules (X = O, NH, CH2, or S; R = H).
    E.D. Jemmis, P.N.V.P. Kumar, N.R.S. Kumar
    J. Chem. Soc. Dalt. Trans. (1987) 271-273. Read more...

  224. Experimental and Theoretical Studies of the Bonding in CPCoS2N2.
    G. Granozzi, M. Casarin, F. Edelmann, T.A. Albright, E.D. Jemmis
    Organometallics. 6 (1987) 2223-2227. Read more...

  225. On the π2 S + π2 S pathways toward [n]-prismanes.
    E.D. Jemmis, G. Leela
    Proc. Indian Acad. Sci. - Chem. Sci. 99 (1987) 281-282. Read more...

  226. Synthesis of alkene-substituted pentacyclo[5.4.0.02,6.33,10.05,9]undecanes. 2. Photoelectron spectra and electronic structures of substituted pentacyclo[5.4.0.02,6.03,10.05,9]undecanes.
    A.P. Marchand, C. Huang, R. Kaya, A.D. Baker, E.D. Jemmis, D.A. Dixon
    J. Am. Chem. Soc. 109 (1987) 7095-7101. Read more...

  227. Reaction of L2W(μ-CR)2WL2 with C2R2. A Theoretical Study.
    E.D. Jemmis, B. V. Prasad
    J. Am. Chem. Soc. 109 (1987) 2560-2563. Read more...

  228. The fragment molecular orbital approach in organometallic reactivity. Reactions of the binuclear complexes.
    E.D. Jemmis, B. V. Prasad
    Proc. Indian Acad. Sci. - Chem. Sci. 99 (1987) 105-111. Read more...

  229. A D4D structure for [8]-prismane.
    V.P. Reddy, E.D. Jemmis
    Tetrahedron Lett. 27 (1986) 3771-3774. Read more...

  230. Agostic interactions as an alternative to octahedral ethylene-hydride complexes. β-CH bond activation.
    P.N.V. Pavankumar, B. Ashok, E.D. Jemmis
    J. Organomet. Chem. 315 (1986) 361-367. Read more...

  231. Theoretical study of the electronic structure and reactions of R2W(μ-CR)2WR2.
    B.V.R.S.S.V. Prasad, A.D. Prasad, E.D. Jemmis
    Proc. Indian Natn. Sci. Acad. 52A (1986) 764-775. Read more...

  232. Inevitability of agostic interactions. β-CH bond activation.
    P.N.V. Pavan Kumar, B. Ashok, E.D. Jemmis
    Recent Advancesin Catalysis and Catalytic Reaction Engineering, ed. P. Kanta Rao, Regional Research Lab, Hyderabad (1986) 285-293. Read more...

  233. A non-least motion pathway for 1,2-shift in cyclic vinyl cations.
    E.D. Jemmis, K.S. Sarma, P.N.V. Pavankumar
    J. Mol. Struct. THEOCHEM. 22 (1985) 305-311. Read more...

  234. Do Anomeric Effects Involving the Second-Row Substituents Cl, SH, and PH2 Exist? Stabilization Energies and Structural Preferences.
    P. von Raeué Schlever, E.D. Jemmis, G.W. Spitznagel
    J. Am. Chem. Soc. 107 (1985) 6393-6394. Read more...

  235. Stability of polyhedral borane anions and carboranes.
    E.D. Jemmis, P.N. V Pavankumar
    Proc. Indian Acad. Sci. - Chem. Sci. 93 (1984) 479-489. Read more...

  236. Lithium-stabilized methanonium IOns, Cli5-nHn+. A Therortical Study.
    P. von Ragué Schleyer, B. Tidor, J. Chandrasekhar, E.U. Würthwein, A.J. Kos, E.D. Jemmis, B.T. Luke, J.A. Pople
    J. Am. Chem. Soc. 105 (1983) 484-488. Read more...

  237. The geometries of tetracoordinate carbon.
    E.D. Jemmis
    Curr. Sci. 52 (1983) 1049-1053. Read more...

  238. Aromaticity in Three Dimensions. 4. Influence of Orbital Compatibility on the Geometry and Stability of Capped Annulene Rings with Six Interstitial Electrons.
    E.D. Jemmis, P. von Ragué Schleyer
    J. Am. Chem. Soc. 104 (1982) 4781-4788. Read more...

  239. Nobel Prizes: The course of chemical reactions.
    E.D. Jemmis
    Science today (1982) 53-54. Read more...

  240. Aromaticity, orbital size and relative stability of closo-carboranes.
    E.D. Jemmis
    Sci. Acad. Medals for Young Scientists - Lectures, Published by Indian National Science Academy, New Delhi, (1982) 94-103. Read more...

  241. Overlap Control and Stability of Polyhedral Molecules. closo-Carboranes.
    E.D. Jemmis
    J. Am. Chem. Soc. 104 (1982) 7017-7020. Read more...

  242. Lithiated Carbocations. The Generation, Structure, and Stability of CLi5+.
    E.D. Jemmis, J. Chandrasekhar, E.U. Würthwein, P. von Ragué Schleyer, J.W. Chinn, F.J. Landro, R.J. Lagow, B. Luke, J.A. Pople
    J. Am. Chem. Soc. 104 (1982) 4275-4276. Read more...

  243. The [4.4.4.4]Fenestranes and[2.2.2.2]paddlane. Prospects for the realization of planar tetracoordinate carbon?.
    E.U. Würthwein, J. Chandrasekhar, E.D. Jenmis, P. von Ragué Schleyer
    Tetrahedron Lett. 22 (1981) 843-846. Read more...

  244. 1,2-Dilithioethane. A Molecular Orbital Study.
    A.J. Kos, E.D. Jemmis, P. Von Ragué Schleyer, R. Gleiter, U. Fischbach, J.A. Pople
    J. Am. Chem. Soc. 103 (1981) 4996-5002. Read more...

  245. Geometries and Energies of Dilithioethylene Isomers and of Vinyl Lithium. An Ab Initio Study.
    Y. Apeloig, T. Clark, A.J. Kos, E.D. Jemmis, P.V.R. Schleyer
    Isr. J. Chem. 20 (1980) 43-50. Read more...

  246. Cleaving CC Bonds in Cyclopropenium Ions.
    E.D. Jemmis, R. Hoffmann
    J. Am. Chem. Soc. 102 (1980) 2570-2575. Read more...

  247. Cp2M2(CO)4 - Quadruply Bridging, Doubly Bridging, Semibridging, or Nonbridging?.
    E.D. Jemmis, A.R. Pinhas, R. Hoffmann
    J. Am. Chem. Soc. 102 (1980) 2576-2585. Read more...

  248. Unusual M-C-H angles, C-H bond activation, and α-hydrogen abstraction in transition metal carbene complexes.
    R. Goddard, R. Hoffmann, E.D. Jemmis
    J. Am. Chem. Soc. 102 (1980) 7667-7676. Read more...

  249. Quantenchemische Berechnung der Absorption von Wasserstoff in tetraedrischen und oktaedrischen Clustern des Nickels, Palladiums und Platins.
    H.H. Dunken, E. Jemmis
    Zeitschrift Für Chemie. 20 (1980) 454-455. Read more...

  250. The Unusual Structures, Energies, and Bonding of Lithium-Substituted Alienes, Propynes, and Cyclopropenes.
    E.D. Jemmis, J. Chandrasekhar, P. von Ragué Schleyer
    J. Am. Chem. Soc. 101 (1979) 2848-2856. Read more...

  251. Stabilization of D3h Pentacoordinate Carbonium Ions. Linear Three-Center-Two-Electron Bonds. Implications for Aliphatic Electrophilic Substitution Reactions.
    E.D. Jemmis, J. Chandrasekhar, P. v. R. Schleyer
    J. Am. Chem. Soc. 101 (1979) 527-533. Read more...

  252. Double aromaticity: aromaticity in orthogonal planes. The 3,5-dehydrophenyl cation.
    J. Chandrasekhar, E.D. Jemmis, P. von Ragué Schleyer
    Tetrahedron Lett. 20 (1979) 3707-3710. Read more...

  253. Structure and bonding of CH2Li2 dimers.
    E.D. Jemmis, P. von Ragué Schleyer, J.A. Pople
    J. Organomet. Chem. 154 (1978) 327-335. Read more...

  254. Ab Initio Scf-Mo Study of Cyclopentadienylberyllium Hydride and of Beryllocene.
    E.D. Jemmis, P.V.R. Schleyer, S. Alexandratos, A. Streitwieser, H.F. Schaefer
    J. Am. Chem. Soc. 100 (1978) 5695-5700. Read more...

  255. Ab initio structures of allyllithium.
    T. Clark, E.D. Jemmis, P. v. R. Schleyer, J.S. Binkley, J.A. Pople
    J. Organomet. Chem. 150 (1978) 1-6. Read more...

  256. CH3O+ and CH2=O+H: High barrirs to isomerization.
    P.V.R. Schleyer, E.D. Jemmis, J.A. Pople
    Chem. Commun. (1978) 190-191. Read more...

  257. The Curious Structure of the Lithiocarbon1 C3Li4.
    E.D. Jemmis, D. Poppinger, P. von R. Schleyer
    J. Am. Chem. Soc. 99 (1977) 5796-5798. Read more...

  258. Thermal and photochemical transformations of tetraphenyl-p-dioxin and tetraphenyl-p-dithiin.
    S. Lahiri, V. Dabral, V. Bhat, E.D. Jemmis, M. V George
    Proc. Indian Acad. Sci. Sect. A. 86 (1977) 1-14. Read more...

  259. Shape and Angle Strain in Organic Intermediates. A Model Study of Alkyl Radicals, Anions, and Cations.
    E.D. Jemmis, R.S. Paul von, V. Buss, L.C. Allen
    J. Am. Chem. Soc. 98 (1976) 6483-6489. Read more...

  260. Stabilization of Planar Tetracoordinate Carbon.
    J.B. Collins, J.D. Dill, E.D. Jemmis, Y. Apeloig, P. von R. Schleyer, J.B. Collins, E.D. Jemmis, P. von R. Schleyer, R. Seeger, J.A. Pople
    J. Am. Chem. Soc. 98 (1976) 5419-5427. Read more...