| Year |
Citation |
Score |
| 2019 |
Dutta B, Clarke R, Raman S, Shaffer TD, Achola L, Nandi P, Suib SL. Lithium promoted mesoporous manganese oxide catalyzed oxidation of allyl ethers. Nature Communications. 10: 655. PMID 30737383 DOI: 10.1038/S41467-019-08619-X |
0.301 |
|
| 2016 |
Gai L, Shin YK, Raju M, Van Duin ACT, Raman S. 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. DOI: 10.1021/Acs.Jpcc.6B01064 |
0.326 |
|
| 2014 |
Zou C, Raman S, van Duin AC. 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. PMID 24821589 DOI: 10.1021/Jp501925A |
0.402 |
|
| 2012 |
Raman S, Carstensen H. 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. DOI: 10.1002/Kin.20718 |
0.672 |
|
| 2012 |
Sharma S, Raman S, Green WH. ChemInform Abstract: Quantum Calculations of Important Isomerization Reaction Rates Cheminform. 43: no-no. DOI: 10.1002/CHIN.201237273 |
0.541 |
|
| 2010 |
Sharma S, Raman S, Green WH. Intramolecular hydrogen migration in alkylperoxy and hydroperoxyalkylperoxy radicals: accurate treatment of hindered rotors. The Journal of Physical Chemistry. A. 114: 5689-701. PMID 20405886 DOI: 10.1021/Jp9098792 |
0.673 |
|
| 2008 |
Ashcraft RW, Raman S, Green WH. 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. PMID 18652432 DOI: 10.1021/Jp711401P |
0.673 |
|
| 2008 |
Wong BM, Fadri MM, Raman S. Thermodynamic calculations for molecules with asymmetric internal rotors. II. Application to the 1,2-dihaloethanes. Journal of Computational Chemistry. 29: 481-7. PMID 17663439 DOI: 10.1002/Jcc.20807 |
0.414 |
|
| 2007 |
Ashcraft RW, Raman S, Green WH. Ab initio aqueous thermochemistry: application to the oxidation of hydroxylamine in nitric acid solution. The Journal of Physical Chemistry. B. 111: 11968-83. PMID 17887786 DOI: 10.1021/Jp073539T |
0.645 |
|
| 2007 |
Wong BM, Raman S. Thermodynamic calculations for molecules with asymmetric internal rotors--application to 1,3-butadiene. Journal of Computational Chemistry. 28: 759-66. PMID 17226834 DOI: 10.1002/Jcc.20536 |
0.412 |
|
| 2005 |
Raman S, Ashcraft RW, Vial M, Klasky ML. Oxidation of hydroxylamine by nitrous and nitric acids. Model development from first principle SCRF calculations. The Journal of Physical Chemistry. A. 109: 8526-36. PMID 16834250 DOI: 10.1021/Jp053003C |
0.684 |
|
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