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.
R. H. McKenzie, C. Bekker, B. Athokpam, S. G. RameshJ. Chem. Phys. 140, 174508 (2014)DOI: 10.1063/1.4873352
A multi-sheeted three-dimensional potential energy surface for the H-atom photodissociation in phenolS. G. Ramesh and W. DomckeFaraday Discuss. 163, 73-94 (2013)DOI: 10.1039/c3fd00006k
Vibrational Symmetry Breaking of NO3- in Aqueous Solution: NO Asymmetric Stretch Frequency Distribution and Mean SplittingS. G. Ramesh, S. Re, J. Boisson, and J. T. HynesJ. Phys. Chem. A 114, 1255-1269 (2010) â€¨DOI: 10.1021/jp903626t
S. G. Ramesh and E. L. SibertJ. 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 approachS. G. Ramesh and E. L. SibertMol. Phys. 103, 149-162 (2005)DOI: 10.1080/00268970512331316247