Sumathy Raman
Affiliations: | 1988-1993 | Indian Institute of Science Bangalore |
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Parents
Sign in to add mentorAsish Kumar Chandra | grad student | 1988-1993 | IISc Bangalore |
William H. Green | post-doc | MIT | |
Sigrid Doris Peyerimhoff | post-doc |
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Publications
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Dutta B, Clarke R, Raman S, et al. (2019) Lithium promoted mesoporous manganese oxide catalyzed oxidation of allyl ethers. Nature Communications. 10: 655 |
Gai L, Shin YK, Raju M, et al. (2016) Atomistic adsorption of oxygen and hydrogen on platinum catalysts by hybrid grand canonical monte carlo/reactive molecular dynamics Journal of Physical Chemistry C. 120: 9780-9793 |
Zou C, Raman S, van Duin AC. (2014) Large-scale reactive molecular dynamics simulation and kinetic modeling of high-temperature pyrolysis of the Gloeocapsomorphaprisca microfossils. The Journal of Physical Chemistry. B. 118: 6302-15 |
Raman S, Carstensen H. (2012) Tree structure for intermolecular hydrogen abstraction from hydrocarbons (C/H) and generic rate constant rules for abstraction by vinyl radical International Journal of Chemical Kinetics. 44: 327-349 |
Sharma S, Raman S, Green WH. (2012) ChemInform Abstract: Quantum Calculations of Important Isomerization Reaction Rates Cheminform. 43: no-no |
Sharma S, Raman S, Green WH. (2010) Intramolecular hydrogen migration in alkylperoxy and hydroperoxyalkylperoxy radicals: accurate treatment of hindered rotors. The Journal of Physical Chemistry. A. 114: 5689-701 |
Ashcraft RW, Raman S, Green WH. (2008) Predicted reaction rates of H(x)N(y)O(z) intermediates in the oxidation of hydroxylamine by aqueous nitric acid. The Journal of Physical Chemistry. A. 112: 7577-93 |
Wong BM, Fadri MM, Raman S. (2008) Thermodynamic calculations for molecules with asymmetric internal rotors. II. Application to the 1,2-dihaloethanes. Journal of Computational Chemistry. 29: 481-7 |
Ashcraft RW, Raman S, Green WH. (2007) Ab initio aqueous thermochemistry: application to the oxidation of hydroxylamine in nitric acid solution. The Journal of Physical Chemistry. B. 111: 11968-83 |
Wong BM, Raman S. (2007) Thermodynamic calculations for molecules with asymmetric internal rotors--application to 1,3-butadiene. Journal of Computational Chemistry. 28: 759-66 |