A global ab initio potential energy surface for HNO (a3A″) and quantum mechanical studies of vibrational states and reaction dynamics

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

(2011) Zheng Li et al.   JOURNAL OF CHEMICAL PHYSICS

Theoretical and Experimental Spectroscopy of the S2 State of CHF and CDF: Dynamically Weighted Multireference Configuration Interaction Calculations for High-Lying Electronic States

(2010) Richard Dawes et al.   Journal of Physical Chemistry Letters

Quasi-classical determination of integral cross-sections and rate constants for the N+OH→NO+H reaction

(2009) M. Jorfi et al.   CHEMICAL PHYSICS LETTERS

Quasiclassical trajectory calculations of differential cross sections and product energy distributions for the N+OH→NO+H reaction

(2009) Mohamed Jorfi et al.   JOURNAL OF CHEMICAL PHYSICS

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

Erratum: “Comparison of second-order split operator and Chebyshev propagator in wave packet based state-to-state reactive scattering calculations” [J. Chem. Phys. 130, 174102 (2009)]

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

State-to-State Quantum Dynamical Study of the N + OH → NO + H Reaction

(2009) M. Jorfi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

AN ACCURATE QUANTUM DYNAMICS STUDY OF THE N+OH REACTION

(2008) MEI-HUA GE et al.   JOURNAL OF THEORETICAL & COMPUTATIONAL CHEMISTRY