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

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

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

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

Accurate ab initio potential energy surface, thermochemistry, and dynamics of the Cl(2P, 2P3/2) + CH4 → HCl + CH3 and H + CH3Cl reactions

(2012) Gábor Czakó et al.   JOURNAL OF CHEMICAL PHYSICS

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

Is There an Entrance Complex for the F+NH3 Reaction?

(2011) Hao Feng et al.   Chemistry-An Asian Journal

Crossed Beams Study on the Dynamics of the F-Atom Reaction with Ammonia

(2010) Chongfa Xiao et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Reaction-Path Dynamics Calculations of the Cl + NH3Hydrogen Abstraction Reaction: The Role of the Intermediate Complexes

(2010) M. Monge-Palacios et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Structural and Topological Studies of Methionine Radical Cations in Dipeptides: Electron Sharing in Two-Center Three-Electron Bonds

(2010) Isabelle Fourré et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

Accurate ab initio potential energy surface, dynamics, and thermochemistry of the F+CH4→HF+CH3 reaction

(2009) Gábor Czakó et al.   JOURNAL OF CHEMICAL PHYSICS

Simplified CCSD(T)-F12 methods: Theory and benchmarks

(2009) Gerald Knizia et al.   JOURNAL OF CHEMICAL PHYSICS

CH Stretching Excitation Steers the F Atom to the CD Bond in the F + CHD3Reaction

(2009) Gábor Czakó et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

CH Stretching Excitation in the Early Barrier F + CHD3 Reaction Inhibits CH Bond Cleavage

(2009) W. Zhang et al.   SCIENCE

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

Ab initio intermolecular potential energy surfaces of the water-rare gas atom complexes

(2008) Jan Makarewicz   JOURNAL OF CHEMICAL PHYSICS