| 1 |
Computational Study of the Thermochemistry of N2O5 and the Kinetics of the Reaction N2O5 + H2O -> 2 HNO3 (vol 118, pg 11405, 2014)
Alecu IM, Marshall P
Journal of Physical Chemistry A, 120(51), 10305, 2016 |
| 2 |
High-temperature kinetics of the reaction between chlorine atoms and hydrogen sulfide
Gao YD, Alecu IM, Goumri A, Marshall P
Chemical Physics Letters, 624, 83, 2015 |
| 3 |
Experimental and Computational Studies of the Kinetics of the Reaction of Atomic Hydrogen with Methanethiol
Kerr KE, Alecu IM, Thompson KM, Gao YD, Marshall P
Journal of Physical Chemistry A, 119(28), 7352, 2015 |
| 4 |
Computational Study of the Thermochemistry of N2O5 and the Kinetics of the Reaction N2O5 + H2O -> 2 HNO3
Alecu IM, Marshall P
Journal of Physical Chemistry A, 118(48), 11405, 2014 |
| 5 |
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 Tunneling
Alecu IM, Zheng JJ, Papajak E, Yu T, Truhlar DG
Journal of Physical Chemistry A, 116(50), 12206, 2012 |
| 6 |
Computational Study of the Reactions of Methanol with the Hydroperoxyl and Methyl Radicals. 1. Accurate Thermochemistry and Barrier Heights
Alecu IM, Truhlar DG
Journal of Physical Chemistry A, 115(13), 2811, 2011 |
| 7 |
Computational Study of the Reactions of Methanol with the Hydroperoxyl and Methyl Radicals. 2. Accurate Thermal Rate Constants
Alecu IM, Truhlar DG
Journal of Physical Chemistry A, 115(51), 14599, 2011 |
| 8 |
Studies of the kinetics and thermochemistry of the forward and reverse reaction Cl+C6H6=HCl+C6H5
Alecu IM, Gao YD, Hsieh PC, Sand JP, Ors A, McLeod A, Marshall P
Journal of Physical Chemistry A, 111(19), 3970, 2007 |
| 9 |
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 ammonia
Gao YD, Alecu IM, Hsieh PC, Morgan BP, Marshall P, Krasnoperov LN
Journal of Physical Chemistry A, 110(21), 6844, 2006 |
