State-to-state time-dependent quantum dynamics calculations are carried out to study F(P-2) + HO((2)Pi) -> O(P-3)+ HF((1)Sigma(+)) reaction on 1(3)A" ground potential energy surface (PES). The vibrationally resolved reaction probabilities and the total integral cross section agree well with the previous results. Due to the heavy-light-heavy (HLH) system and the large exoergicity, the obvious vibrational inversion is found in a state-resolved integral cross section. The total differential cross section is found to be forward-backward scattering biased with strong oscillations at energy lower than a threshold of 0.10 eV, which is the indication of the indirect complex-forming mechanism. When the collision energy increases to greater than 0...
A global potential energy surface (PES) for the ground electronic state of FH 2O is constructed base...
M. P. Deskevich, M. Y. Hayes, K. Takahashi, R. T. Skodje, and D. J. Nesbitt \textit{J.~Chem. ~Phys.M...
M. P. Deskevich, M. Y. Hayes, K. Takahashi, R. T. Skodje, and D. J. Nesbitt \textit{J.~Chem. ~Phys.M...
The authors report a detailed quantum mechanical study of the state-to-state dynamics of the O +OH(n...
The dynamics of the H(S-2)+ FO((2)Pi) -> OH((2)Pi)+ F(P-2) reaction on the adiabatic potential energ...
The dynamics of the H(S-2)+ FO((2)Pi) -> OH((2)Pi)+ F(P-2) reaction on the adiabatic potential energ...
Quantum state-to-state dynamics of the N(S-4) + H-2(X-1 Sigma(+)) -> NH(X-3 Sigma(-)) + H(S-2) react...
The state-to-state reaction dynamics of the title reaction is investigated on the ground electronic ...
Quasi-classical trajectories have been evaluated to study the state-to-state dynamic for the title r...
A global analytical potential energy surface for the ground state of H3−has been constructed b...
The H(2S)+FO(2?) ? HF(1? +) + O(3P) reaction on the 13A? state potential energy surface is investiga...
The state-to-state quantum dynamics calculation for the reaction $\text{O}^{+}+\text{H}_{2} \to \tex...
State-resolved integral and differential cross sections have been calculated for the F + H2 (v = 0) ...
The stereodynamic properties of the F + HO (v, j) reaction are explored by quasi-classical trajector...
State-to-state quantum dynamics calculations for the H + LiH (v = 0-1, j = 0) -> H-2 + Li reactions ...
A global potential energy surface (PES) for the ground electronic state of FH 2O is constructed base...
M. P. Deskevich, M. Y. Hayes, K. Takahashi, R. T. Skodje, and D. J. Nesbitt \textit{J.~Chem. ~Phys.M...
M. P. Deskevich, M. Y. Hayes, K. Takahashi, R. T. Skodje, and D. J. Nesbitt \textit{J.~Chem. ~Phys.M...
The authors report a detailed quantum mechanical study of the state-to-state dynamics of the O +OH(n...
The dynamics of the H(S-2)+ FO((2)Pi) -> OH((2)Pi)+ F(P-2) reaction on the adiabatic potential energ...
The dynamics of the H(S-2)+ FO((2)Pi) -> OH((2)Pi)+ F(P-2) reaction on the adiabatic potential energ...
Quantum state-to-state dynamics of the N(S-4) + H-2(X-1 Sigma(+)) -> NH(X-3 Sigma(-)) + H(S-2) react...
The state-to-state reaction dynamics of the title reaction is investigated on the ground electronic ...
Quasi-classical trajectories have been evaluated to study the state-to-state dynamic for the title r...
A global analytical potential energy surface for the ground state of H3−has been constructed b...
The H(2S)+FO(2?) ? HF(1? +) + O(3P) reaction on the 13A? state potential energy surface is investiga...
The state-to-state quantum dynamics calculation for the reaction $\text{O}^{+}+\text{H}_{2} \to \tex...
State-resolved integral and differential cross sections have been calculated for the F + H2 (v = 0) ...
The stereodynamic properties of the F + HO (v, j) reaction are explored by quasi-classical trajector...
State-to-state quantum dynamics calculations for the H + LiH (v = 0-1, j = 0) -> H-2 + Li reactions ...
A global potential energy surface (PES) for the ground electronic state of FH 2O is constructed base...
M. P. Deskevich, M. Y. Hayes, K. Takahashi, R. T. Skodje, and D. J. Nesbitt \textit{J.~Chem. ~Phys.M...
M. P. Deskevich, M. Y. Hayes, K. Takahashi, R. T. Skodje, and D. J. Nesbitt \textit{J.~Chem. ~Phys.M...