Calculation of multiple initial state selected reaction probabilities from Chebyshev flux-flux correlation functions: Influence of reactant internal excitations on H + H2O → OH + H2

State-to-state reactive scattering in six dimensions using reactant–product decoupling: OH + H2 → H2O + H (J = 0)

(2011) Marko T. Cvitaš et al.   JOURNAL OF CHEMICAL PHYSICS

Quasiclassical trajectory study of the postquenching dynamics of OH AΣ2+ by H2/D2 on a global potential energy surface

(2010) Bina Fu et al.   JOURNAL OF CHEMICAL PHYSICS

Communications: A rigorous transition state based approach to state-specific reaction dynamics: Full-dimensional calculations for H+CH4→H2+CH3

(2010) Gerd Schiffel et al.   JOURNAL OF CHEMICAL PHYSICS

Classical description in a quantum spirit of the prototype four-atom reaction OH + D2

(2010) J. Espinosa-Garcia et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The OH + D2→ HOD + D angle–velocity distribution: quasi-classical trajectory calculations on the YZCL2 and WSLFH potential energy surfaces and comparison with experiments at ET = 0.28 eV

(2009) José Daniel Sierra et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Real wavepacket code for reactive scattering

(2008) Jordi Mayneris et al.   COMPUTER PHYSICS COMMUNICATIONS