Quantum and quasiclassical state-to-state dynamics of the NH + H reaction: Competition between abstraction and exchange channels

Extraction of state-to-state reactive scattering attributes from wave packet in reactant Jacobi coordinates

(2010) Zhigang Sun et al.   JOURNAL OF CHEMICAL PHYSICS

Non-Born−Oppenheimer State-to-State Dynamics of the N(2D) + H2→ NH(X̃3Σ−) + H Reaction: Influence of the Renner−Teller Coupling†

(2010) Shi Ying Lin et al.   JOURNAL OF PHYSICAL CHEMISTRY A

NH(X3Σ)+H/D(S2)→H(S2)+NH/ND(X3Σ) exchange reactions: State-to-state quantum scattering and applicability of statistical model

(2009) Zheng Li et al.   JOURNAL OF CHEMICAL PHYSICS

Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive scattering calculations

(2009) Zhigang Sun et al.   JOURNAL OF CHEMICAL PHYSICS

A Reactant-Coordinate-Based Time-Dependent Wave Packet Method for Triatomic State-to-State Reaction Dynamics: Application to the H + O2Reaction†

(2009) Zhigang Sun et al.   JOURNAL OF PHYSICAL CHEMISTRY A

A new ab initio potential-energy surface for NH2(XA″2) and quantum studies of NH2 vibrational spectrum and rate constant for the N(D2)+H2→NH+H reaction

(2008) Shulan Zhou et al.   JOURNAL OF CHEMICAL PHYSICS

Renner–Teller coupled-channel dynamics of the N(D2)+H2 reaction and the role of the NH2 Ã A21 electronic state

(2008) Pablo Gamallo et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum dynamics of NH(aΔ1)+H reactions on the NH2 Ã A21 surface

(2008) Sinan Akpinar et al.   JOURNAL OF CHEMICAL PHYSICS