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Publications

  1. Isopropylcyclohexane pyrolysis at high pressure and temperature: Part 2- theoretical study
    S. Hossain, M. K. Singh, J. Gopalan and E. Arunan
    Combustion and Flame 256 (2023) 112773, DOI:10.1016/j.combustflame.2023.112773 Online Access
  2. Isopropylcyclohexane pyrolysis at high pressure and temperature: Part 1- theoretical study
    S. Hossain, M. K. Singh, J. Gopalan and E. Arunan
    Combustion and Flame 256 (2023) 112776, DOI:10.1016/j.combustflame.2023.112776 Online Access
  3. Unified classification of non-covalent bonds formed by main group elements: a bridge to chemical bonding
    A. Das and E. Arunan
    Phys. Chem. Chem. Phys., 2023, 25, 22583, DOI:10.1039/D3CP00370A Online Access
  4. New Insights into the Formation of CH3OCH3 and CH3SCH3 without and with the Assistance of Na+ Ions and Some Implications for Interstellar Chemistry: An In Silico Approach
    S. K. Pandey, S. Hossain, E. Arunan
    ACS Earth Space Chem. (2023), DOI:10.1021/acsearthspacechem.2c00292 Online Access
  5. Recent advances in in silico design and characterization of superalkali-based materials and their potential applications: A review
    S. K. Pandey, E. Arunan, R. Das, A. Roy and A. K. Mishra
    Frontiers in Chemistry, 10 (2022) DOI:10.3389/fchem.2022.1019166 Online Access
  6. Non-covalent Bonds in Group 1 and Group 2 Elements: The Alkalene bond
    A. Das and E. Arunan
    Phys. Chem. Chem. Phys. 24, 28913-28922 (2022) DOI:10.1039/D2CP03904D Online Access
  7. Rotational spectroscopic studies of the tetrel bonded CH3CN-CO2 complex
    S. P. Gnanasekar and E. Arunan
    J. Mol. Spectrosc. 388, 111671 (2022) DOI:10.1016/j.jms.2022.111671 Online Access
  8. Measurement of Donor-Acceptor Interchange Tunnelling in Ar(H2O)2 using Rotational Spectroscopy and a Re-look at Its Structure and Bonding
    A. Das and E. Arunan
    J. Mol. Structure, 1255, 132094 (2022) DOI:10.1016/j.molstruc.2021.132094 Online Access
  9. Structure and Internal Motions of a Multifunctional Alcohol-Water Complex: Rotational Spectroscopy of the Propargyl Alcohol⋅⋅⋅H2O Dimer
    S. P. Gnanasekar and E. Arunan
    J. Phys. Chem. A, 125, 33, 7138-7150 (2021) Online Access
  10. Effects of Multiple OH/SH Substitution on the H-Bonding/Stability versus Aromaticity of Benzene Rings: From Computational Insights
    S.K. Pandey and E. Arunan
    ChemistrySelect, 6, 5120-5139 (2021) Online Access
  11. A review on hydroxyapatite coatings for the biomedical applications: experimental and theoretical perspectives
    S. Awasthi, S.K. Pandey, E. Arunan & C. Srivastava
    J Mater Chem B, 9, 228-249 (2021) Online Access
  12. Coriolis Interactions in benzene-water and related molecular complexes
    P. Halder, M.S. Krishnan & E. Arunan
    J. Mol. Spectrosc. 370, 111277 (2020) Online Access
  13. A Detailed Classification of three-centre-two-electron Bonds
    S. P. Gnanasekar and E. Arunan
    Aust J. Chem. 73(8) 766-774 (2020) Online Access
  14. One Hundred Years After the Latimer and Rodebush Paper, Hydrogen Bonding Remains an Elephant!
    E. Arunan
    J Indian Inst Sci 100, 249-255 (2020) Online Access
  15. Chemical bonding in Period 2 homonuclear diatomic molecules: a comprehensive relook
    A. Das and E. Arunan
    J Chem Sci 131, 120 (2019) Online Access
  16. Isolation of a Halogen-Bonded Complex Formed between Methane and Chlorine Monofluoride and Characterisation by Rotational Spectroscopy and Ab Initio Calculations
    Anthony C. Legon, David G. Lister, John H. Holloway, Devendra Mani and Elangannan Arunan
    Molecules 24(23), 4257, (2019) Online Access
  17. Reply to Comments on 'Inter/Intramolecular Bonds in TH5+ (T = C/Si/Ge): H2 as Tetrel Bond Acceptor and the Uniqueness of Carbon Bonds'
    S. P. Gnanasekar and E. Arunan
    J. Phys. Chem. A, 123, 42, 9244-9245 (2019) Online Access
  18. Inter/intramolecular Bonds in TH5+ (T = C/Si/Ge): H2 as Tetrel Bond Acceptor and the Uniqueness of Carbon Bonds
    S. P. Gnanasekar and E. Arunan
    J. Phys. Chem. A, 123, 1168-1176 (2019) Online Access
  19. The H2S Dimer is Hydrogen Bonded: Direct Confirmation from Microwave Spectroscopy
    A. Das, P. K. Mandal, F. J. Lovas, C. Medcraft, N. R. Walker and E. Arunan
    Angew. Chem. Int. Ed. 57, 15199 (2018) Online Access
  20. Theoretical investigation of reaction kinetics and thermodynamics of the keto-enol tautomerism of 1, 3, 5-triazin-2, 4(1H, 3H)-dione and its substituted systems utilizing density functional theory and transition state theory methods
    P. M. Singh, H. K. Chakravarty, S. K. Jain, A. Pathak, M. K. Singh and E. Arunan
    Computational and Theoretical Chemistry 1141, 15-40 (2018) Online Access
  21. Interstellar Hydrogen Bonding
    E. E. Etim, P. Gorai, A. Das, S. K. Chakrabarti, and E. Arunan
    Adv. Space Res 61, 2870-2880 (2018) Online Access
  22. Theoretical investigation of interstellar C-C-O and C-O-C bonding backbone molecules
    Emmanuel E. Etim, P. Ghorai, A. Das and E. Arunan
    Astrophysics and. Space Science 363, 6 (2018) Online access: DOI: 10.1007/s10509-017-3226-5 Online Access
  23. Interstellar Protonated Molecular Species
    Emmanuel E. Etim, P. Ghorai, A. Das and E. Arunan
    Adv. Space Res 59 (2017) Online Access
  24. C5H9N isomers: Pointers to possible interstellar chain molecules
    E. E. Etim, P. Ghorai, A. Das and E. Arunan
    Eur. Phys. J. D. 71:86 (10 pages) 2017. Online Access
  25. Partition function and astronomical observation of interstellar isomers: Is there a link?
    Emmanuel E. Etim and E. Arunan
    Adv. Space Res 59, 1161-1171 (2017) Online Access
  26. Accurate Rotational Constants for Linear Interstellar Carbon Chains: Achieving experimental accuracy
    E. E. Etim and E. Arunan
    Astrophysics and Space Science 362, 1-25, (2017) Online Access
  27. Shock wave processing of C60 in hydrogen
    L. Biennier, V. Jayaram, N. Suas-David, R. Georges, M. Kiran Singh, E. Arunan, S. Kassi, E. Dartois and K.P.J. Reddy
    Astronomy and Astrophysics 599, A42 (14 pages) (2017) Online Access
  28. Systematic Theoretical Study on the Interstellar Carbon Chain Molecules
    E. E. Etim, P. Gorai, A. Das, S. K. Chakrabarti, and E. Arunan
    Astrophys.J 832, 144 (14 pages) (2016) Online Access
  29. Interstellar Isomeric Species: Energy Stability and Abundance Principle
    E. E. Etim and E. Arunan
    Eur. Phys. J. Plus, 131, 448 (10 pages) (2016) Online Access
  30. Why are hydrogen bonds directiona
    A. Shahi and E. Arunan
    J. Chem. Sci. 128, 1571-1577 (2016) Online Access
  31. Measuring Temperature of reflected shock wave using a standard chemical reaction
    M. Kiran Singh, B. Rajakumar, and E. Arunan
    J Ind. Inst. Sci. 96, 53-62 (2016) Online Access
  32. H2O-CH4 and H2S-CH4 complexes: A direct comparison between molecular beam experiments and ab initio calculations
    David Cappelletti, Alessio Bartocci, Federica Frati, Luiz Rocaratti, Leonardo Belpassi, Francesco Tarantelli, P Aiswaryalakshmi, E Arunan and Fernando Pirani
    Phys. Chem. Chem. Phys. 17, 30613-30623 (2015) (DOI: 10.1039/C5CP03704B) Online Access
  33. Pyrolysis of 3-carene: Experiment, theory and modeling
    N. Sharath, H. K. Chakravarty, K. P. J. Reddy, P. K. Bharai and E.Arunan
    J. Chem. Sci. 127, 2119-2135 (2015) (DOI: 10.1007/s12039-015-0987-7) Online Access
  34. Microwave Spectroscopic and Theoretical Investigations of the Strongly Hydrogen Bonded Hexafluoroisopropanol-Water Complex
    Abhishek Shahi and E. Arunan
    Phys. Chem. Chem. Phys. 17, 24774-24782 (2015) Online Access
  35. Inter molecular azide-diisocyanate coupling: new insights for energetic solid propellants
    S. Reshmi, K. P. Vijayalakshmi, R. Sadhana, B. K. George, E. Arunan, C. P. Reghunadhan Nair
    RSC Advances 5, 50478-50482 (2015) Online Access
  36. Microwave Spectrum of Hexafluoroisopropanol and Torsional Behavior of Molecules with a CF3-C-CF3 Group
    Abhishek Shahi and E. Arunan
    J. Phys. Chem. A 119, 5650-5657 (2015) Online Access
  37. Conformational Stability and Intramolecular Hydrogen Bonding in 1,2-Ethanediol and 1,4-Butanediol
    Prasanta Das, P. K. Das and E. Arunan
    J. Phys. Chem. A. (2015) 119, 3710-3720 Online Access
  38. Intramolecular Hydrogen Bond: Can it be Part of the Basis Set of Valence Internal Coordinates in Normal Mode Analysis?
    S. K. Pandey, Prasanta Das, P. K. Das, E. Arunan* and S. Manogaran*
    J. Chem. Sci. 127, 1127-1134 (2015) Online Access
  39. X-H⋅⋅⋅C hydrogen bonds in n-alkane-HX (X = F, OH) complexes are stronger than C-H⋅⋅⋅X hydrogen bonds
    Rajendra Parajuli and E. Arunan
    J. Chem. Sci. 127, 1035-1145 (2015) Online Access DOI: 10.1007/s12039-015-0861-7
  40. Ignition delay of 3-carene: Single Pulse Shock Tube Study
    N. Sharath, P. K. Bharai, K. P. J. Reddy and E. Arunan.
    Curr. Sci. 108, 2083-2087 (2015)
  41. Three Centered Hydrogen Bond of the type C=O···H(N)···X-C in diphenyloxalmide derivatives involving halogens and a rotating CF3 group: NMR, QTAIM, NCI and NBO Studies
    Lakshmipriya Anamalagundam , Sachin Rama Chaudhari , Abhishek Shahi , E Arunan and Suryaprakash Nagaraja Rao
    Phys. Chem. Chem. Phys. 17, 7528-7536 (2015) Online Access
  42. Study of structures, energies and vibrational frequencies of (O2)n+ (n=2-5) clusters by GGA and meta-GGA density functional methods
    Govinda P. Khanal, R. Parajuli, E. Arunan, Shinichi Yamabe, Kenzo Hiraoka, Eiko Torikai
    Computational and Theoretical Chemistry, 1056, 24-36 (2015) Online Access
  43. Dynamics of a chemical bond: inter and intra-molecular hydrogen bonding
    E. Arunan and D. Mani
    Faraday Discuss. 177, 51-64 (2015) Online Access DOI: 10.1039/C4FD00167B
  44. The X-C⋅⋅⋅π (X=F, Cl, Br, CN) Carbon Bond
    D. Mani and E. Arunan
    J. Phys. Chem. A 118, 10081-10089 (2014) Online Access DOI: 10.1021/jp507849g
  45. Rotational Spectra of Propargyl Alcohol Dimer: A Dimer Bound with Three Different Types of Hydrogen Bonds
    D. Mani and E. Arunan
    J. Chem. Phys. 141, 164311 (2014) Online Access DOI: 10.1063/1.4898378
  46. Azide and Alkyne Terminated Polybutadiene Binders: Synthesis, Crosslinking and Propellant Studies
    S. Reshmi, C. P. Reghunadhan Nair, E. Arunan
    J. Ind. Eng. Chem. 53 , 16612-16620 (2014) Online Access DOI: 10.1021/ie502035u
  47. Thermal Decomposition of Propargyl Alcohol: Single Pulse Shock Tube Experimental and ab initio Theoretical Study
    N. Sharath, K. P. J. Reddy and E. Arunan
    J. Phys. Chem. A. 118, 5927-5938 (2014) Online Access DOI: 10.1021/jp505145j
  48. Hydrogen bonding, halogen bonding and lithium bonding: An atoms in molecule and natural bond orbital perspective towards conservation of total bond order, inter- and intra-molecular bonding
    A. Shahi and E. Arunan
    Phys. Chem. Chem. Phys. 16, 22935-22952 (2014) Online Access DOI: 10.1039/C4CP02585G
  49. Microwave, infrared-microwave double resonance, and theoretical studies of C2H4⋅⋅⋅H2S complex
    M. Goswami, J. L. Neill, M. Muckle, B. H. Pate, and E. Arunan
    J. Chem. Phys. 139, 104303 (2013) Online Access DOI: 10.1063/1,4819787
  50. Glycidyl azide polymer crosslinked through triazoles by click chemistry: curing, mechanical and thermal properties.
    S. K. Reshmi, K. P. Vijayalakshmi, D. Thomas, E. Arunan and C. P. R. Nair
    Propellants, Explosives, Pyrotechniques (2013) Online Access DOI: 10.1002/prep.201200036
  51. The X-C---Y (X = O/F, Y = O, S, F, Cl, Br, N, P,) Carbon bond and hydrophobic interactions
    Devendra Mani and E. Arunan
    Phys. Chem. Chem. Phys. 15, 14377-14383 (2013) Online Access DOI: 10.1039/C3CP51658J
  52. Fe as hydrogen/halogen bond acceptor in square pyramidal Fe(CO)5
    P. Aiswaryalakshmi, Devendra Mani, and E. Arunan
    Inorg. Chem., 52, 9153-9161 (2013) Online Access DOI: 10.1021/ic4015114
  53. Investigations on high enthalpy shock wave exposed graphitic carbon nanoparticles
    N. K. Reddy, V. Jayaram, E. Arunan, Y. B. Kwon, W. J. Moon, and K. P. J. Reddy
    Diamond and Related Materials, 35, 53-57 (2013)
  54. Comprehensive Investigations on DNa⋅⋅⋅A (D=H/F) Complexes Show Why 'Sodium Bonding' is not Commonly Observed
    R. Parajuli, E. Arunan
    Chem. Phys. Lett. 568-569, 63-69 (2013) Online Access
  55. Microwave Spectroscopic and Atoms in Molecules Theoretical Investigations on the Ar⋅⋅⋅Propargyl Alcohol Complex: Ar⋅⋅⋅H - O, Ar⋅⋅⋅π, and Ar⋅⋅⋅C Interactions
    Devendra Mani, E. Arunan
    ChemPhysChem 14, 754 (2013) Online Access
  56. High-temperature kinetics of the reactions between CN and hydrocarbons using a novel high enthalpy flow tube
    Aline Gardez, Ghassen Saidani, Ludovic Biennier, Robert Georges, Edouard Hugo, Vijayanand Chandrasekaran, Vivien Roussel, Bertrand Rowe, K. P. J. Reddy, E. Arunan
    Int. J. Chem. Kinetics 44, 753 (2012) Online Access
  57. Computational investigations on covalent dimerization/oligomerization of polyacenes: Is it relevant to soot formation?
    D. Koley, E. Arunan, . S. Ramakrishnan
    J. Comput.l Chem. 33, 1762 (2012) Online Access
  58. Towards a broadband chirped pulse Fourier transform microwave spectrometer
    D. Mani, V. T. Bhat, K. J. Vinoy, E. Arunan
    >Indian Journal of Physics, 86, 225 (2012) Online Access
  59. Infrared Spectra of Dimethylphenanthrenes in the Gas phase
    Prasanta Das, E. Arunan, and Puspendu K. Das
    J. Phys. Chem. A 2012, 116, 5769 Online Access
  60. Direct Infrared Absorption Spectroscopy of Benzene Dimer
    V. Chandrasekaran, L. Biennier, E. Arunan, D. Talbi and R. Georges
    J. Phys. Chem. A. 115, 11263 (2011) Online Access
  61. Definition of the hydrogen bond.
    E. Arunan, G. R. Desiraju, R. A. Klein, J. Sadlej, S. Scheiner, I. Alkorta, D. C. Clary, R. H. Crabtree, J. J. Dannenberg, P. Hobza, H. G. Kjaergaard, A. C. Legon, B. Mennucci and D. J. Nesbitt.
    Pure Appl. Chem. 83, 1637 (2011) Online Access
  62. Defining the Hydrogen Bond: An Account.
    E. Arunan, G. R. Desiraju, R. A. Klein, J. Sadlej, S. Scheiner, I. Alkorta, D. C. Clary, R. H. Crabtree, J. J. Dannenberg, P. Hobza, H. G. Kjaergaard, A. C. Legon, B. Mennucci and D. J. Nesbitt.
    Pure Appl. Chem. 83, 1619 (2011) Online Access
  63. Microwave Spectroscopic and Theoretical Studies on Phenylacetylene···H2O Complex: CH---O and OH---p Hydrogen Bonds as Equal Partners.
    M. Goswami and E. Arunan.
    Phys. Chem. Chem. Phys. 13, 14153 (2011) Online Access
  64. Microwave Spectrum and Structure of C6H5CCH---H2S complex.
    M. Goswami and E. Arunan.
    J. Mol. Spectrosc. 268, 147 (2011) Online Access
  65. Measuring rotational constant of a molecule without dipole moment and confirming low frequency vibrations using microwave spectroscopy.
    Devendra Mani, P. Aiswayalakshmi and E. Arunan.
    Asian J Spectrosc. Special issue, 31 (2010) Online Access
  66. Infrared Spectra of Dimethylquinolines in the Gas Phase: Experiment and Theory.
    Prasanta Das, S. Manogaran, E. Arunan, and Puspendu K. Das.
    J. Phys. Chem. A 114, 8351 (2010) Online Access
  67. Crystalline ethane-1,2-diol Does Not Have Intramolecular Hydrogen Bonding: Experimental and Theoretical Charge Density Studies.
    Deepak Chopra, T. N. Guru Row, E. Arunan and R. A. Klein.
    J. Mol. Struct. 964, 126-133 (2010). Online Access
  68. Characterization of Circumstellar Carbonaceous Dust Analogues Produced by Pyrolysis of Acetylene in a Porous Graphite Reactor.
    Ludovic Biennier, Robert Georges, Vijayanand Chandrasekaran, Bertrand Rowe, Thierry Bataille, V. Jayaram, K. P. J. Reddy and E. Arunan.
    Carbon 47, 3295 (2009). Online Access
  69. The Hydrogen Bond: A Molecular Beam Microwave Spectroscopist's View with a Universal Appeal.
    Mausumi Goswami and E. Arunan.
    Phys. Chem. Chem. Phys. 11,8974 (2009). Online Access
  70. Hydrogen bonding with a hydrogen bond: The methane-water complex and the pentacoordinate carbon.
    B. Raghavendra and E. Arunan.
    Chem. Phys. Lett. 467, 37 (2008).Online Access
  71. Aerodynamic drag reduction by heat addition into the shock layer for a large angle blunt cone in hypersonic flow.
    V. Kulkarni, G. M. Hegde, G. Jagadeesh, E. Arunan and K. P. J. Reddy.
    Phys. Fluid, 20, 081703 (2008).Online Access
  72. Single pulse shock tube for ignition delay studies.
    M. Nagaboopathy, C. Vijayanand, Gopalkrishna Hegde, K. P. J. Reddy and E. Arunan
    Curr. Sci. vol 95, 78-82, (2008). Online Access
  73. Infrared Spectra of dimethylnaphthalenes in the gas phase.
    Prasanta Das, E. Arunan and P. K. Das.
    Vibrational Spectroscopy, 47, 1-9, (2008).Online Access
  74. Unpaired and sigma bond electrons as H, Cl and Li bond acceptors: An anomalous one-electron blue-shifting chlorine bond.
    B. Raghavendra and E. Arunan.
    J. Phys. Chem. A 111, 9699 (2007).  Online Access
  75. Rotational spectra of weakly bound complexes containing H2O/H2S: Hydrogen bonding vs van der Waals interaction.
    E. Arunan, P. K. Mandal, Mausumi Goswami, and B. Raghavendra.
    Proc. Ind. Nat. Sci. Acad. 71 A, 377-389 (2005). Online Access
  76. Ab initio and AIM theoretical analysis of Hydrogen-Bond radius of HD(D=F,Cl,Br,CN,OH,SH and CCH) donors and some acceptors
    B. Raghavendra, Pankaj K. Mandal, and E. Arunan.
    Phys.Chem.Chem.Phys. 8, 5276-5286 (2006). Online Access
  77. Pulsed nozzle Fourier transform microwave spectroscopic and ab initio investigations on the weakly bound Ar-(H2S)2 trimer.
    Pankaj K. Mandal, Mausumi Goswami, and E. Arunan.
    J. Ind. Inst. Sci. 85, 353-367, (2005). OnlineAccess
  78. Rotational spectra and structure of the Ar2-H2S complex: pulsed nozzle Fourier transform microwave spectroscopic and ab initio studies.
    Pankaj K. Mandal, Dharmender J. Ramdass, and E. Arunan.
    Phys.Chem.Chem.Phys. 7, 2740 (2005).  Online Access
  79. Rotational spectra of mono-substituted asymmetric C6H6-H2O dimers.
    B. Ram Prasad, Mangala Sunder Krishnan, and E. Arunan.
    J. Mol. Spectrosc. 232, 308 (2005).Online Access
  80. Is there a hydrogen bond radius? Evidence from microwave spectroscopy, neutron scattering and x-ray diffraction results.
    B. Lakshmi, A. G. Samuelson, K. V. Jovan Jose, S. R. Gadre, and E. Arunan.
    New J. Chem. 29, 371 (2005). Online Access
  81. Rotational Spectra and Structure of the floppy C2H4-H2S complex: Bridging hydrogen bonding and van der Waals interactions.
    M. Goswami, P. K. Mandal, D. J. Ramdass and E. Arunan.
    Chem.Phys.Lett. 393, 22 (2004). Online Access
  82. Pulsed nozzle Fourier transform microwave spectrometer: Advances and applications.
    E. Arunan, Sagarika Dev, P. K. Mandal.
    App. Spectrosc. Rev. 39, 131 (2004). Online Access
  83. Chlorine bond distances in ClF and Cl2 complexes.
    Naba K. Karan and E. Arunan.
    J. Mol. Structure 688, 203 (2004). Online Access
  84. Thermal decomposition of 2-fluoroethanol: Single pulse shock tube and ab initio studies.
    B. Rajakumar, K. P. J. Reddy and E. Arunan.
    J.Phys.Chem.A. 107(46), 9782 (2003). Online Access
  85. Ab initio, DFT and transition state theory calculations on HF, HCl and ClF elimination from CH2XCH2Y:X/Y=F/Cl.
    B. Rajakumar and E. Arunan.
    Phys.Chem.Chem.Phys. 5, 3897 (2003). Online Access
  86. Rotational spectrum of the weakly bonded C6H6-H2S dimer and comparisons to C6H6-H2O dimer.
    E. Arunan, T. Emilsson, H. S. Gutowsky, G. T. Fraser, G. de Oliviera and C. E. Dykstra.
    J. Chem. Phys. 117, 9766 (2002). Online Access
  87. Chemical kinetics studies at high temperatures using shock tubes.
    B. Rajakumar, D. Anandraj, K. P. J. Reddy, and E. Arunan.
    J. Ind. Inst. Sci. 82, 37 (2002). Online Access
  88. Unimolecular HCl elimination from 1,2-dichloroethane: A single pulse shock tube and ab initio study.
    B. Rajakumar, K. P. J. Reddy, and E. Arunan.
    J. Phys. Chem. A. 106, 8366 (2002). Online Access
  89. Pulsed nozzle Fourier transform microwave spectrometer: An ideal spectrometer to define hydrogen bond radius.
    E. Arunan, A. P. Tiwari, P. K. Mandal and P. C. Mathias
    Curr. Sci. 82, 533 (2002). Online Access
  90. Rotational spectra, structures and dynamics of small Arm-(H2O)n clusters:the Ar-(H2O)2 trimer.
    E. Arunan, T. Emilsson, H. S. Gutowsky.
    J. Chem. Phys. 116, 4886, (2002). (This paper has been selected for publication in the virtual Journal of Biochemistry, March 15, 2002 issue http://www.vjbio.org/) Online Access
  91. Infrared chemiluminescence: Evidence for adduct formation in the H + CH2XI reaction and studies on the N + CH2X reactions.
    E. Arunan, S. P. Vijayalakshmi, R. Valera, and D. W. Setser.
    Phys. Chem. Chem. Phys. 4, 51 (2002). Online Access
  92. Hydrochlorofluoroamines: Ab initio and DFT studies on their structure, enthalipies of formation and unimolecular reaction pathways.
    K. R. Shamasundar and E. Arunan
    J. Phys. Chem. A. 105 , 8533(2001) . Online Access
  93. Hydrogen bond radii for the hydrogen halides and van der Waals radius of hydrogen.
    P. K. Mandal and E. Arunan
    J. Chem. Phys. 114, 3880 (2001). Online Access
  94. Rotational spectra and structures of the Ar3-H2O and Ar3-H2S symmetric tops.
    E. Arunan, T. Emilsson, H. S. Gutowsky, and C. E. Dykstra
    J. Chem. Phys. 114, 1242 (2001). Online Access
  95. Unimolecular reaction dynamics of CH3COCl and FCH2COCl : An infrared chemiluminescence and ab initio study.
    A. Srivatsava, E. Arunan, G. Manke II, D. W. Setser, and R. Sumathi
    J. Phys. Chem.A. 102, 6412 (1998). Online Access
  96. The C-C bond is stronger than the C-Cl bond in CH3COCl.
    E. Arunan
    J. Phys. Chem. A. 101, 4838 (1997). Online Access
  97. Rotational spectra, structure, and internal dynamics of Ar-H2S isotopomers.
    H. S. Gutowsky, T. Emilsson, and E. Arunan
    J. Chem. Phys. 106, 5309 (1997). Online Access
  98. Rotational spectra, structures, and dynamics of small Arm-(H2O) n clusters : the Ar2-H2O trimer.
    E. Arunan, C. E. Dykstra, T. Emilsson, and H. S. Gutowsky
    J. Chem. Phys. 105, 8495 (1996). Online Access
  99. Rotational spectra and structures of the C6H6-HCN dimer and Ar3-HCN tetramer.
    H. S. Gutowsky, E. Arunan, T. Emilsson, S. L. Tschopp, and C. E. Dysktra
    J. Chem. Phys. 103, 3917 (1995).  Online Access
  100. Excited ν3 vibrational state of the Ar-HCN and Kr-HCN dimers.
    E. Arunan, T. Emilsson, and H. S. Gutowsky,
    J. Chem. Phys. 103, 493 (1995). Online Access
  101. Rotational spectra and van der Waals potentials of Ne-Ar.
    J. -U. Grabow, A. S. Pine, G. T. Fraser, F. J. Lovas, R. D. Suenram, T. Emilsson, E. Arunan, and H. S. Gutowsky
    J. Chem. Phys. 102, 1181 (1995). Online Access
  102. Rotational spectra, structure and dynamics of Arm(H2O)n clusters: Ar2-H2O, Ar-(H2O)2, Ar3-H2O and Ar-(H2O)3.
    E. Arunan, T. Emilsson and H. S. Gutowsky
    J. Am. Chem. Soc. 116, 8418 (1994). Online Access
  103. Rotational spectra and structure of Rg-C6H6-H2O (Rg = Ne, Ar or Kr) trimers and Ne-C6H6 dimer.
    E. Arunan, T. Emilsson and H. S. Gutowsky
    J. Chem. Phys. 101, 861 (1994).Online Access
  104. Infrared chemiluminescence studies of the reactions of H atoms with CCl3, CF2Cl and CH2CH2Cl radicals at 300 and 475 K: addition-elimination vs abstraction reaction mechanisms.
    E. Arunan, R. Rengarajan and D. W. Setser
    Can. J. Chem. (J. C. Polanyi Special Issue) 72, 568 (1994). Online Access
  105. Infrared chemiluminescence studies of H + NFCl2 and H + NFCl reactions.
    E. Arunan, C. Liu, D. W. Setser, J. V. Gilbert and R. D. Coombe
    J. Phys. Chem. 98, 494 (1994). Online Access
  106. Rotational spectrum and structure of Ne-C6H6-H2O, an aromatic sandwich.
    E. Arunan, T. Emilsson and H. S. Gutowskys
    J. Chem. Phys. 99, 6208 (1993). Online Access
  107. Low J rotational spectra, internal rotation, and structures of several benzene-water dimers.
    H. S. Gutowsky, T. Emilsson and E. Arunan
    J. Chem. Phys. 99, 4883 (1993). Online Access
  108. Infrared chemiluminescence studies of H + BrCN and H abstraction by CN reactions: importance of the HNC channel.
    E. Arunan, G. Manke II and D. W. Setser
    Chem. Phys. Lett. 207, 81 (1993). Online Access
  109. The rotational spectrum, structure and dynamics of a benzene dimer.
    E. Arunan and H. S. Gutowsky.
    J. Chem. Phys. 98, 4294 (1993). Online Access
  110. Vibrational relaxation rate constants for HF(v=1-4) by CO, CO2 and HCN with product identification by infrared emission.
    E. Arunan, D. Raybone and D. W. Setser
    J. Chem. Phys. 97, 6348 (1992).Online Access
  111. Vibration-rotational Einstein coefficients for HF/DF and HCl/DCl.
    E. Arunan, D. W. Setser and J. F. Ogilvie
    J. Chem. Phys. 97, 1734 (1992).Online Access
  112. HCN infrared chemiluminescence from the H + ICN reaction .
    E. Arunan and D. W. Setser
    J. Phys. Chem. 95, 4190 (1991). Online Access
  113. HF/HCl vibrational and rotational distributions from three- and four-centered unimolecular elimination reactions.
    E. Arunan, S. J. Wategaonkar and D. W. Setser
    J. Phys. Chem. 95, 1539 (1991). Online Access
  114. Sequence determination in acrylic acid-methyl methacrylate copolymers by 13C and 1H NMR spectroscopy.
    A. S. Brar, E. Arunan and G. S. Kapur
    Polym. J. (Tokyo) 21, 689 (1989).  Online Access
    115. .