Sumathy Raman

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1988-1993 IISc Bangalore 
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"Sumathy Raman"
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Islam MM, Zou C, van Duin AC, et al. (2015) Interactions of hydrogen with the iron and iron carbide interfaces: a ReaxFF molecular dynamics study. Physical Chemistry Chemical Physics : Pccp
Joshi KL, Psofogiannakis G, van Duin AC, et al. (2014) Reactive molecular simulations of protonation of water clusters and depletion of acidity in H-ZSM-5 zeolite. Physical Chemistry Chemical Physics : Pccp. 16: 18433-41
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
Raman S, Ashcraft RW, Vial M, et al. (2005) Oxidation of hydroxylamine by nitrous and nitric acids. Model development from first principle SCRF calculations. The Journal of Physical Chemistry. A. 109: 8526-36
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