A new ab initio based global HOOH(13A″) potential energy surface for the O(3P) + H2O(X1A1) ↔ OH(X2Π) + OH(X2Π) reaction

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

Classical dynamics of state-resolved hyperthermal O(3P) + H2O(1A1) collisions

(2013) Matthew Braunstein et al.   JOURNAL OF CHEMICAL PHYSICS

Ab Initio Thermal Rate Calculations of HO + HO = O(3P) + H2O Reaction and Isotopologues

(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

Communication: A chemically accurate global potential energy surface for the HO + CO → H + CO2 reaction

(2012) Jun Li 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

Quasi-Classical Trajectory Study of the HO + CO → H + CO2 Reaction on a New ab Initio Based Potential Energy Surface

(2012) Jun Li et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Reaction OH + OH Studied over the 298–834 K Temperature and 1 - 100 bar Pressure Ranges

(2012) Manuvesh Sangwan et al.   JOURNAL OF PHYSICAL CHEMISTRY A

O-atom exchange in O(3P)+H2O(1A1) collisions

(2011) Matthew Braunstein et al.   CHEMICAL PHYSICS LETTERS

High-dimensional ab initio potential energy surfaces for reaction dynamics calculations

(2011) Joel M. Bowman et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Global potential energy surfaces for O(P3)+H2O(A11) collisions

(2010) Patrick F. Conforti 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