Theoretical Chemistry
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
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B. Athokpam and S. G. RameshJ. Chem. Phys. 148, 134503 (2018)DOI: 10.1063/1.5021634
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J. Ray and S. G. RameshChem. Phys. (2018)DOI: 10.1016/j.chemphys.2018.03.015
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R. H. McKenzie, C. Bekker, B. Athokpam, S. G. RameshJ. Chem. Phys. 140, 174508 (2014)DOI: 10.1063/1.4873352
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S. G. Ramesh and W. DomckeFaraday Discuss. 163, 73-94 (2013)DOI: 10.1039/c3fd00006k
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S. G. Ramesh, S. Re, J. Boisson, and J. T. HynesJ. Phys. Chem. A 114, 1255-1269 (2010) 
DOI: 10.1021/jp903626t
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S. G. Ramesh and E. L. SibertJ. Chem. Phys. 125, 244512 (2006)DOI: 10.1063/1.2403875
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S. G. Ramesh and E. L. SibertMol. Phys. 103, 149-162 (2005)DOI: 10.1080/00268970512331316247