The potential energy surfaces for the ground and low-lying excited states of the H; system are calculated by means of the diatomics-in-molecule (DIM) method. State-to-state reaction probabilities for rearrangement in H-+HZ, D, collisions are cal-culated by the S matrix Kohn variational method in the discrete variable representation for the collinear configuration, and the results for H- + D, collisions compared with recent experimental data. 1
We present the results of a joint experimental and theoretical investigation of the reaction dynamic...
Reagent ro-vibrational state-selected and energy resolved total reaction probabilities of the title ...
International audienceWe report state-to-state quasi-classical trajectory (QCT) rate constants for t...
The Kohn variational principle for the log-derivative matrix is used to calculate integral cross sec...
Contains fulltext : 103960.pdf (publisher's version ) (Open Access
This work presents results of quantum mechanical calculations of reaction probabilities for the ion-...
The state-to-state dynamics of the H+HD-->H-2+D reaction at a collisional energy of 0.5 eV was studi...
The D+ +H2(v = 0, j = 0, 1) → HD+H+ reaction has been investigated at the low energy regime by means...
An extensive set of experimental measurements on the dynamics of the H+ + D-2 and D+ + H-2 ion-molec...
The H + H2 reaction is very important in theoretical chemical dynamics (1-4). A model that is often ...
Schiffel G, Manthe U. A transition state view on reactive scattering: Initial state-selected reactio...
The results of a comparison of quantum scattering calculations based on the S-matrix version of the ...
The log derivative version of the Kohn variational principle is used to calculate J=0 reaction proba...
We report benchmark time-dependent quantum calculation of state-to-state reaction probabilities for ...
International audienceFor chemistry networks describing the reactions for the early universe and esp...
We present the results of a joint experimental and theoretical investigation of the reaction dynamic...
Reagent ro-vibrational state-selected and energy resolved total reaction probabilities of the title ...
International audienceWe report state-to-state quasi-classical trajectory (QCT) rate constants for t...
The Kohn variational principle for the log-derivative matrix is used to calculate integral cross sec...
Contains fulltext : 103960.pdf (publisher's version ) (Open Access
This work presents results of quantum mechanical calculations of reaction probabilities for the ion-...
The state-to-state dynamics of the H+HD-->H-2+D reaction at a collisional energy of 0.5 eV was studi...
The D+ +H2(v = 0, j = 0, 1) → HD+H+ reaction has been investigated at the low energy regime by means...
An extensive set of experimental measurements on the dynamics of the H+ + D-2 and D+ + H-2 ion-molec...
The H + H2 reaction is very important in theoretical chemical dynamics (1-4). A model that is often ...
Schiffel G, Manthe U. A transition state view on reactive scattering: Initial state-selected reactio...
The results of a comparison of quantum scattering calculations based on the S-matrix version of the ...
The log derivative version of the Kohn variational principle is used to calculate J=0 reaction proba...
We report benchmark time-dependent quantum calculation of state-to-state reaction probabilities for ...
International audienceFor chemistry networks describing the reactions for the early universe and esp...
We present the results of a joint experimental and theoretical investigation of the reaction dynamic...
Reagent ro-vibrational state-selected and energy resolved total reaction probabilities of the title ...
International audienceWe report state-to-state quasi-classical trajectory (QCT) rate constants for t...