| 1 |
A theoretical study of the H- and HOO-assisted propen-2-ol tautomerizations: Reactive systems to evaluate collision efficiency definitions on chemically activated reactions using SS-QRRK theory
Grajales-Gonzalez E, Monge-Palacios M, King SMS
Combustion and Flame, 225, 485, 2021 |
| 2 |
Temperature-dependence of the static contact angle: A transition state theory approach
Duchemin B, Cazaux G, Gomina M, Breard J
Journal of Colloid and Interface Science, 592, 215, 2021 |
| 3 |
Degree of rate control and De Donder relations - An interpretation based on transition state theory
Foley BL, Bhan A
Journal of Catalysis, 384, 231, 2020 |
| 4 |
Dual level direct dynamics study of gas phase reaction of CF3CH2OCH2CF3 with Cl atoms and atmospheric degradation of CF3CH2OCH2CF3
Lily M, Baidya B, Chandra AK
Chemical Physics Letters, 721, 141, 2019 |
| 5 |
Structural effects on the growth of large polycyclic aromatic hydrocarbons by C2H2
Raj A
Combustion and Flame, 204, 331, 2019 |
| 6 |
Tunnelling and the kinetic isotope effect in CH3 + CH4 -> CH4 + CH3: An application of semiclassical transition state theory
Burd TAH, Shan X, Clary DC
Chemical Physics Letters, 693, 88, 2018 |
| 7 |
DFT calculation-based study of the mechanism for CO2 formation in the interaction of CO and NO2 molecules
Kroupnov AA, Pogosbekian MJ
Chemical Physics Letters, 710, 90, 2018 |
| 8 |
Molecular conformational effects in H plus n-heptane reaction rate calculations
Nasiri R, Luo KH
Combustion and Flame, 193, 170, 2018 |
| 9 |
Theoretical kinetics of hydrogen abstraction and addition reactions of 3-hexene by H, O-(3P) and CH3
Yang FY, Zhang YJ, Sun WC, Zhao Q, Huang WL, Qin XK, Deng FQ, Huang ZH
Combustion and Flame, 197, 449, 2018 |
| 10 |
Quantum chemical and kinetics calculations for the NO reduction with char(N): Influence of the carbon monoxide
Jiao AY, Zhang H, Liu JX, Jiang XM
Combustion and Flame, 196, 377, 2018 |
