Our interests lie in the study of quantum mechanics or mixed quantum-classical mechanics of molecular systems. Some of our recent and ongoing works include the following:

• Model studies on hydrogen-bond bonding and its quantum mechanical manifestations.
• Modeling of and nuclear dynamics on a manifold of excited electronic surfaces.
• Solution phase dynamics of reactive events and solvent influence on them.
• Modeling anharmonic vibrations and gas phase infrared spectra.

Representative Publications

• Alkyl hydrogen atom abstraction reactions of the CN radical with ethanol
  B. Athokpam and S. G. Ramesh
  J. Chem. Phys.  148, 134503 (2018)
   
  DOI: 10.1063/1.5021634
• Conical intersections involving the lowest ¹πσ^∗ state in aniline: Role of the NH₂ group
  J. Ray and S. G. Ramesh
  Chem. Phys.  (2018)
   
  DOI: 10.1016/j.chemphys.2018.03.015
• Effect of quantum nuclear motion on hydrogen bonding
  R. H. McKenzie, C. Bekker, B. Athokpam, S. G. Ramesh
  J. Chem. Phys.  140, 174508 (2014)
   
  DOI: 10.1063/1.4873352
• A multi-sheeted three-dimensional potential energy surface for the H-atom photodissociation in phenol
  S. G. Ramesh and W. Domcke
  Faraday Discuss.  163, 73-94 (2013)
   
  DOI: 10.1039/c3fd00006k
• Vibrational Symmetry Breaking of NO₃^- in Aqueous Solution: NO Asymmetric Stretch Frequency Distribution and Mean Splitting
  S. G. Ramesh, S. Re, J. Boisson, and J. T. Hynes
  J. Phys. Chem. A  114, 1255-1269 (2010) 

   
  DOI: 10.1021/jp903626t
• Time scales and pathways of vibrational energy relaxation in liquid CHBr₃ and CDBr₃
  S. G. Ramesh and E. L. Sibert
  J. Chem. Phys.  125, 244512 (2006)
   
  DOI: 10.1063/1.2403875
• A study of the vibrations of fluoroform with a sixth order nine-dimensional potential: A combined perturbative-variational approach
  S. G. Ramesh and E. L. Sibert
  Mol. Phys.  103, 149-162 (2005)
   
  DOI: 10.1080/00268970512331316247