Add to ORKGThe dynamics of the NH + H --> N + H-2 reaction has been investigated by means of the 3D quasiclassical trajectory approach by using the LEPS potential energy surface. The calculated rate coefficient is in good agreement with the experimental value. The reaction was found to occur via a direct channel. The product H-2 has a cold excitation of rotational state, but has a reverse distribution of the vibrational state with a peak at upsilon=1. Based on the potential energy surface and the trajectory analysis, the reaction mechanism has been explained successfully
The mechanisms of the reaction NH2+CH4 --> NH3+CH3, NH2+CH4 --> CH3NH2+H have been studied at B3LYP/...
AbstractRate coefficients for the N(2D)+N2 collisions were calculated employing quasiclassical traje...
The dynamics of the title reaction was studied using mainly the quasiclassical trajectory (QCT) meth...
The dynamics of the H + NH-->N + H-2 reaction has been investigated by means of the 3-atom model qua...
The detailed dynamics of the CH4 + Cl --> HCl + CH3 reaction has been investigated by means of the q...
Dedicated to Professor Otohiko Tsuge on the occasion of his retirement Three-dimensional quasiclassi...
Quantum state-to-state dynamics of the N(S-4) + H-2(X-1 Sigma(+)) -> NH(X-3 Sigma(-)) + H(S-2) react...
Three-dimensional quasiclassical trajectory calculations have been performed for the O(^3P)+HI/DI→OH...
We report in this paper a quantum dynamics study for the reaction H+NH3 -> NH2+H-2 on the potential ...
Hyperthermal reactions, such as O(3P) + HCl, are known to occur within rocket plumes and around spac...
The quasiclassical trajectory method based on the extended London-Eyring-Polanyi-Sato potential ener...
The SiH4+H→SiH3+H2 reaction has been investigated by the quasiclassical trajectory (QCT) method on a...
The SiH(4)+H -> SiH(3)+H(2) reaction has been investigated by the quasiclassical trajectory (QCT) me...
A detailed quasiclassical trajectory study of the H + HS reaction yielding an exchange (H + HS) and ...
The reaction of CH4+O(P-3)-> CH3+OH was studied with the quasiclassical trajectory calculation. Both...
The mechanisms of the reaction NH2+CH4 --> NH3+CH3, NH2+CH4 --> CH3NH2+H have been studied at B3LYP/...
AbstractRate coefficients for the N(2D)+N2 collisions were calculated employing quasiclassical traje...
The dynamics of the title reaction was studied using mainly the quasiclassical trajectory (QCT) meth...
The dynamics of the H + NH-->N + H-2 reaction has been investigated by means of the 3-atom model qua...
The detailed dynamics of the CH4 + Cl --> HCl + CH3 reaction has been investigated by means of the q...
Dedicated to Professor Otohiko Tsuge on the occasion of his retirement Three-dimensional quasiclassi...
Quantum state-to-state dynamics of the N(S-4) + H-2(X-1 Sigma(+)) -> NH(X-3 Sigma(-)) + H(S-2) react...
Three-dimensional quasiclassical trajectory calculations have been performed for the O(^3P)+HI/DI→OH...
We report in this paper a quantum dynamics study for the reaction H+NH3 -> NH2+H-2 on the potential ...
Hyperthermal reactions, such as O(3P) + HCl, are known to occur within rocket plumes and around spac...
The quasiclassical trajectory method based on the extended London-Eyring-Polanyi-Sato potential ener...
The SiH4+H→SiH3+H2 reaction has been investigated by the quasiclassical trajectory (QCT) method on a...
The SiH(4)+H -> SiH(3)+H(2) reaction has been investigated by the quasiclassical trajectory (QCT) me...
A detailed quasiclassical trajectory study of the H + HS reaction yielding an exchange (H + HS) and ...
The reaction of CH4+O(P-3)-> CH3+OH was studied with the quasiclassical trajectory calculation. Both...
The mechanisms of the reaction NH2+CH4 --> NH3+CH3, NH2+CH4 --> CH3NH2+H have been studied at B3LYP/...
AbstractRate coefficients for the N(2D)+N2 collisions were calculated employing quasiclassical traje...
The dynamics of the title reaction was studied using mainly the quasiclassical trajectory (QCT) meth...