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I M Alecu

Showing results (1-10 of 10) with videos related to

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The Journal of Physical Chemistry. A|November 8, 2014
Computational study of the thermochemistry of N₂O₅ and the kinetics of the reaction N₂O₅ + H₂O → 2 HNO₃I M Alecu, Paul Marshall
The Journal of Physical Chemistry. A|March 17, 2011
Computational study of the reactions of methanol with the hydroperoxyl and methyl radicals. 1. Accurate thermochemistry and barrier heightsI M Alecu, Donald G Truhlar
The Journal of Physical Chemistry. A|November 9, 2011
Computational study of the reactions of methanol with the hydroperoxyl and methyl radicals. 2. Accurate thermal rate constantsI M Alecu, Donald G Truhlar
The Journal of Chemical Physics|July 8, 2022
Experimental and computational studies of the kinetics of the reaction of hydrogen peroxide with the amidogen radicalI M Alecu, Yide Gao, Paul Marshall
Journal of Chemical Theory and Computation|November 25, 2015
How Well Can Modern Density Functionals Predict Internuclear Distances at Transition States?Xuefei Xu, I M Alecu, Donald G Truhlar
Journal of Chemical Theory and Computation|December 1, 2015
Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model ChemistriesI M Alecu, Jingjing Zheng, Yan Zhao, et al.
The Journal of Physical Chemistry. A|November 16, 2012
Biofuel combustion. Energetics and kinetics of hydrogen abstraction from carbon-1 in n-butanol by the hydroperoxyl radical calculated by coupled cluster and density functional theories and multistructural variational transition-state theory with multidimensional tunnelingI M Alecu, Jingjing Zheng, Ewa Papajak, et al.
Physical Chemistry Chemical Physics : PCCP|May 13, 2011
Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: the internal-coordinate multi-structural approximationJingjing Zheng, Tao Yu, Ewa Papajak, et al.
The Journal of Physical Chemistry. A|May 26, 2006
Thermochemistry is not a lower bound to the activation energy of endothermic reactions: a kinetic study of the gas-phase reaction of atomic chlorine with ammoniaYide Gao, I M Alecu, P-C Hsieh, et al.
The Journal of Physical Chemistry. A|February 8, 2007
Studies of the kinetics and thermochemistry of the forward and reverse reaction Cl + C6H6 = HCl + C6H5I M Alecu, Yide Gao, P-C Hsieh, et al.
Pageof 1

Showing results (1-10 of 10) with videos related to

Sort By:
Pageof 1
The Journal of Physical Chemistry. A|November 8, 2014
Computational study of the thermochemistry of N₂O₅ and the kinetics of the reaction N₂O₅ + H₂O → 2 HNO₃I M Alecu, Paul Marshall
The Journal of Physical Chemistry. A|March 17, 2011
Computational study of the reactions of methanol with the hydroperoxyl and methyl radicals. 1. Accurate thermochemistry and barrier heightsI M Alecu, Donald G Truhlar
The Journal of Physical Chemistry. A|November 9, 2011
Computational study of the reactions of methanol with the hydroperoxyl and methyl radicals. 2. Accurate thermal rate constantsI M Alecu, Donald G Truhlar
The Journal of Chemical Physics|July 8, 2022
Experimental and computational studies of the kinetics of the reaction of hydrogen peroxide with the amidogen radicalI M Alecu, Yide Gao, Paul Marshall
Journal of Chemical Theory and Computation|November 25, 2015
How Well Can Modern Density Functionals Predict Internuclear Distances at Transition States?Xuefei Xu, I M Alecu, Donald G Truhlar
Journal of Chemical Theory and Computation|December 1, 2015
Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model ChemistriesI M Alecu, Jingjing Zheng, Yan Zhao, et al.
The Journal of Physical Chemistry. A|November 16, 2012
Biofuel combustion. Energetics and kinetics of hydrogen abstraction from carbon-1 in n-butanol by the hydroperoxyl radical calculated by coupled cluster and density functional theories and multistructural variational transition-state theory with multidimensional tunnelingI M Alecu, Jingjing Zheng, Ewa Papajak, et al.
Physical Chemistry Chemical Physics : PCCP|May 13, 2011
Practical methods for including torsional anharmonicity in thermochemical calculations on complex molecules: the internal-coordinate multi-structural approximationJingjing Zheng, Tao Yu, Ewa Papajak, et al.
The Journal of Physical Chemistry. A|May 26, 2006
Thermochemistry is not a lower bound to the activation energy of endothermic reactions: a kinetic study of the gas-phase reaction of atomic chlorine with ammoniaYide Gao, I M Alecu, P-C Hsieh, et al.
The Journal of Physical Chemistry. A|February 8, 2007
Studies of the kinetics and thermochemistry of the forward and reverse reaction Cl + C6H6 = HCl + C6H5I M Alecu, Yide Gao, P-C Hsieh, et al.
Pageof 1