# Rate coefficient expressions for reactions of molecules in 2Î electronic states at low temperatures

## Related Articles

- Rate expression for unimolecular gas-phase reaction. Manjunath, R. // Nature & Science;Dec2012, Vol. 10 Issue 12, p98
The prime purpose of this article is to establish a rate equation for unimolecular gas-phase reaction.

- The influence of the quencher concentration on the rate of simple bimolecular reaction: Molecular dynamics study. Litniewski, Marek // Journal of Chemical Physics;9/22/2005, Vol. 123 Issue 12, p124506
The paper presents the results of large-scale molecular dynamics simulations of the irreversible bimolecular reaction A+Bâ†’C+B for the simple liquid composed of mechanically identical soft spheres. The systems with the total number of molecules corresponding to 107â€“109 are...

- On the deduction of chemical reaction pathways from measurements of time series of concentrations. Samoilov, Michael; Arkin, Adam; Ross, John // Chaos;Mar2001, Vol. 11 Issue 1, p108
We discuss the deduction of reaction pathways in complex chemical systems from measurements of time series of chemical concentrations of reacting species. First we review a technique called correlation metric construction (CMC) and show the construction of a reaction pathway from measurements on...

- Efectos relativist's en cinÃ©tica quÃmica. // Latin-American Journal of Physics Education;Sep2010, Vol. 4 Issue 3, p562
No abstract available.

- The cumulative reaction probability for the H[sub 2] + OH reaction. Zhang, Dong H.; Light, John C. // Journal of Chemical Physics;1/8/1997, Vol. 106 Issue 2, p551
Reports on the calculation of the cumulative reaction probability for the four-atom reaction H[sub 2] + OH ->H + H[sub 2]O using one of the formulations of Miller, Schwartz and Tromp and the transition state wave packet approach of Zhang and Light. Use of transition state normal coordinates.

- On the â€˜â€˜directâ€™â€™ calculation of thermal rate constants. Thompson, Ward H.; Miller, William H. // Journal of Chemical Physics;5/15/1995, Vol. 102 Issue 19, p7409
We present a new approach for the direct (and correct) calculation of thermal rate constants k(T) (â€˜â€˜directâ€™â€™ meaning that one avoids having to solve the state-to-state reactive scattering problem, and â€˜â€˜correctâ€™â€™ meaning that the method...

- Theoretical study of the CH4+Fâ†’CH3+FH reaction. I. Ab initio reaction path. Corchado, J. C.; Espinosa-García, J. // Journal of Chemical Physics;8/22/1996, Vol. 105 Issue 8, p3152
Using ab initio information, the reaction path for the CH4+Fâ†’CH3+FH reaction was traced and the coupling between the reaction coordinate and normal modes was analyzed along it. The FH product may be vibrationally excited due to the nonadiabatic flow of energy between the reaction...

- Accuracy of the centrifugal sudden approximation in the H+H[sub 2]O reaction and accurate integral cross sections for the H+H[sub 2]Oâ†’H[sub 2]+OH abstraction reaction. Zhang, Dong H.; Yang, Minghui; Lee, Soo-Y. // Journal of Chemical Physics;12/8/2002, Vol. 117 Issue 22, p10067
The initial state selected time-dependent wave packet method has been extended to calculate the total reaction probability for atom-triatom reactions with total angular momentum J > 0 by treating both bonds in the triatom reagent reactively. The total exchange and abstraction reaction...

- Comparison of deterministic and stochastic kinetics for nonlinear systems. Zheng, Qiang; Ross, John // Journal of Chemical Physics;3/1/1991, Vol. 94 Issue 5, p3644
The deterministic kinetics of chemical reactions is compared with a stochastic description for the cubic SchlÃ¶gl model with a single stable steady state, which has a nonlinear reaction mechanism. We solve numerically the birth-death master equation for this system for various numbers of...