Calculation of the state-to-state S-matrix for tetra-atomic reactions with transition-state wave packets: H2/D2 + OH → H/D + H2O/HOD

Effects of reactant rotational excitation on reactivity: Perspectives from the sudden limit

(2014) Bin Jiang et al.   JOURNAL OF CHEMICAL PHYSICS

Calculation of state-to-state differential and integral cross sections for atom-diatom reactions with transition-state wave packets

(2014) Bin Zhao et al.   JOURNAL OF CHEMICAL PHYSICS

Correlation functions for fully or partially state-resolved reactive scattering calculations

(2014) Uwe Manthe et al.   JOURNAL OF CHEMICAL PHYSICS

Full-Dimensional Quantum State-to-State Nonadiabatic Dynamics for Photodissociation of Ammonia in its A-Band

(2014) Changjian Xie et al.   Journal of Physical Chemistry Letters

Imaging Dynamics on the F + H2O -> HF + OH Potential Energy Surfaces from Wells to Barriers

(2014) R. Otto et al.   SCIENCE

State-to-state quantum versus classical dynamics study of the OH + CO → H + CO2 reaction in full dimensions (J = 0): checking the validity of the quasi-classical trajectory method

(2014) Shu Liu et al.   THEORETICAL CHEMISTRY ACCOUNTS

A Chebyshev method for state-to-state reactive scattering using reactant-product decoupling: OH + H2 → H2O + H

(2013) Marko T. Cvitaš et al.   JOURNAL OF CHEMICAL PHYSICS

Relative efficacy of vibrational vs. translational excitation in promoting atom-diatom reactivity: Rigorous examination of Polanyi's rules and proposition of sudden vector projection (SVP) model

(2013) Bin Jiang et al.   JOURNAL OF CHEMICAL PHYSICS

Communication: A six-dimensional state-to-state quantum dynamics study of the H + CH4 → H2 + CH3 reaction (J = 0)

(2013) Shu Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Control of Mode/Bond Selectivity and Product Energy Disposal by the Transition State: X + H2O (X = H, F, O(3P), and Cl) Reactions

(2013) Bin Jiang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dynamical Resonances Accessible Only by Reagent Vibrational Excitation in the F + HD->HF + D Reaction

(2013) T. Wang et al.   SCIENCE

The dynamics of the D2 + OH → HOD + D reaction: A combined theoretical and experimental study

(2012) Shu Liu et al.   FARADAY DISCUSSIONS

Quantum dynamics of complex-forming bimolecular reactions

(2012) H. Guo   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Quantum approaches to polyatomic reaction dynamics

(2012) Gunnar Nyman et al.   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Time-dependent wave packet theory for state-to-state differential cross sections of four-atom reactions in full dimensions: Application to the HD + OH → H2O + D reaction

(2012) Shu Liu et al.   JOURNAL OF CHEMICAL PHYSICS

State-to-state reaction probabilities within the quantum transition state framework

(2012) Ralph Welsch et al.   JOURNAL OF CHEMICAL PHYSICS

Thermal flux based analysis of state-to-state reaction probabilities

(2012) Ralph Welsch et al.   MOLECULAR PHYSICS

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

(2011) Bin Jiang et al.   JOURNAL OF CHEMICAL PHYSICS

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

Communication: State-to-state quantum dynamics study of the OH + CO → H + CO2 reaction in full dimensions (J = 0)

(2011) Shu Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate calculations of reaction rates: predictive theory based on a rigorous quantum transition state concept

(2011) Uwe Manthe   MOLECULAR PHYSICS

Experimental and Theoretical Differential Cross Sections for a Four-Atom Reaction: HD + OH -> H2O + D

(2011) C. Xiao et al.   SCIENCE

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

(2010) 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

Quantum Wave Packet Method for State-to-State Reactive Scattering Calculations on AB + CD → ABC + D Reactions†

(2009) Marko T. Cvitaš et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Time-dependent and time-independent wavepacket approaches to reactive scattering and photodissociation dynamics

(2008) Gabriel G. Balint-Kurti   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY