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Permutation invariant polynomial neural network approach to fitting potential energy surfaces. III. Molecule-surface interactions
American Institute of Physics | 2014| -
Communication: Enhanced dissociative chemisorption of CO2 via vibrational excitation
Free accessAmerican Institute of Physics | 2016| -
Electron-hole pair effects in methane dissociative chemisorption on Ni(111)
American Institute of Physics | 2016| -
A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system
American Institute of Physics | 2015| -
Communication: Mode specific quantum dynamics of the F + CHD3 → HF + CD3 reaction
Free accessAmerican Institute of Physics | 2016| -
Communication: An accurate full 15 dimensional permutationally invariant potential energy surface for the OH + CH4 → H2O + CH3 reaction
Free accessAmerican Institute of Physics | 2015| -
Rotational mode specificity in the Cl + CHD3 → HCl + CD3 reaction
American Institute of Physics | 2014| -
Quantum dynamics of water dissociative chemisorption on rigid Ni(111): An approximate nine-dimensional treatment
American Institute of Physics | 2016| -
Communication: Energy transfer and reaction dynamics for DCl scattering on Au(111): An ab initio molecular dynamics study
Free accessAmerican Institute of Physics | 2016| -
State-to-state reaction dynamics of 18O+32O2 studied by a time-dependent quantum wavepacket method
American Institute of Physics | 2015| -
Quantum and quasi-classical dynamics of the OH + CO → H + CO2 reaction on a new permutationally invariant neural network potential energy surface
American Institute of Physics | 2014| -
Communication: State-to-state dynamics of the Cl + H2O → HCl + OH reaction: Energy flow into reaction coordinate and transition-state control of product energy disposal
Free accessAmerican Institute of Physics | 2015| -
Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm−1 and new assignments of bands 2ν9 and ν5
American Institute of Physics | 2015| -
On the incorporation of the geometric phase in general single potential energy surface dynamics: A removable approximation to ab initio data
American Institute of Physics | 2016| -
Quantum and classical dynamics of water dissociation on Ni(111): A test of the site-averaging model in dissociative chemisorption of polyatomic molecules
American Institute of Physics | 2015| -
Communication: Equivalence between symmetric and antisymmetric stretching modes of NH3 in promoting H + NH3 → H2 + NH2 reaction
Free accessAmerican Institute of Physics | 2016| -
State-to-state differential cross sections for D2 + OH → D + DOH reaction: Influence of vibrational excitation of OH reactant
American Institute of Physics | 2016| -
A new set of potential energy surfaces for HCO: Influence of Renner-Teller coupling on the bound and resonance vibrational states
American Institute of Physics | 2016|
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