Mode specificity in the HF + OH → F + H2O reaction

Quasi‐classical Trajectory Study of F+H2O→HF+OH Reaction: Influence of Barrier Height, Reactant Rotational Excitation, and Isotopic Substitution

(2014) Jun Li et al.   CHINESE JOURNAL OF CHEMICAL PHYSICS

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

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

Effects of reactant rotation on the dynamics of the OH + CH4 → H2O + CH3 reaction: A six-dimensional study

(2014) Hongwei Song et al.   JOURNAL OF CHEMICAL PHYSICS

Rotational mode specificity in the Cl + CHD3 → HCl + CD3 reaction

(2014) Rui Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Mode Specificity and Product Energy Disposal in Unimolecular Reactions: Insights from the Sudden Vector Projection Model

(2014) Jun Li et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

(2014) R. Otto et al.   SCIENCE

Communication: Covalent nature of X⋯H2O (X = F, Cl, and Br) interactions

(2013) Jun Li et al.   JOURNAL OF CHEMICAL PHYSICS

Spin-orbit corrected full-dimensional potential energy surfaces for the two lowest-lying electronic states of FH2O and dynamics for the F + H2O → HF + OH reaction

(2013) Jun Li et al.   JOURNAL OF CHEMICAL PHYSICS

Competition between abstraction and exchange channels in H + HCN reaction: Full-dimensional quantum dynamics

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

Six-dimensional and seven-dimensional quantum dynamics study of the OH + CH4 → H2O + CH3 reaction

(2013) Hongwei Song 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: Some critical features of the potential energy surface for the Cl + H2O → HCl + OH forward and reverse reactions

(2013) Yundong Guo et al.   JOURNAL OF CHEMICAL PHYSICS

Kinetic and dynamic studies of the Cl(2Pu) + H2O(X̃1A1) → HCl(X̃1Σ+) + OH(X̃2Π) reaction on an ab initio based full-dimensional global potential energy surface of the ground electronic state of ClH2O

(2013) Jun Li et al.   JOURNAL OF CHEMICAL PHYSICS

Accurate Determination of Barrier Height and Kinetics for the F + H2O → HF + OH Reaction

(2013) Thanh Lam Nguyen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Reactant Vibrational Excitations Are More Effective than Translational Energy in Promoting an Early-Barrier Reaction F + H2O → HF + OH

(2013) Jun Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

Quantum dynamics of complex-forming bimolecular reactions

(2012) H. Guo   INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY

Fully converged integral cross sections of collision induced dissociation, four-center, and single exchange reactions, and accuracy of the centrifugal sudden approximation in H2 + D2 reaction

(2012) Hongwei Song et al.   JOURNAL OF CHEMICAL PHYSICS

An ab initio based full-dimensional global potential energy surface for FH2O(X2A′) and dynamics for the F + H2O → HF + HO reaction

(2012) Jun Li et al.   JOURNAL OF CHEMICAL PHYSICS

Quantum Dynamics of the HO + CO → H + CO2 Reaction on an Accurate Potential Energy Surface

(2012) Jianyi Ma et al.   Journal of Physical Chemistry Letters

The entrance complex, transition state, and exit complex for the F + H2O → HF + OH reaction. Definitive predictions. Comparison with popular density functional methods

(2012) Guoliang Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Enhancement of bimolecular reactivity by a pre-reaction van der Waals complex: the case of F + H2O → HF + HO

(2012) Jun Li et al.   Chemical Science

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

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

(2011) C. Xiao et al.   SCIENCE

Shape resonance in the H + D2O → D + HOD reaction: a full-dimensional quantum dynamics study

(2011) Bina Fu et al.   Chemical Science

Nonadiabatic reactive scattering in atom+triatom systems: Nascent rovibronic distributions in F+H[sub 2]O→HF+OH

(2009) Michael Ziemkiewicz 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

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

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

Crossed jet reactive scattering dynamics of F+H2O→HF(v,J)+OH:HF(v,J) product quantum state distributions under single-collision conditions

(2008) Alexander M. Zolot et al.   JOURNAL OF CHEMICAL PHYSICS