Hua Guo
0000-0001-9901-053X
University of New Mexico
27 papers found
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Theoretical study of the O(3P) + CN(X2Σ+) → CO(X1Σ+) + N(2D)/N(4S) reactions
High-accuracy DMBE potential energy surface for CNO(A′′4) and the rate coefficients for the C + NO reaction in the A′2, A′′2, and A′′4 states
Quantum and semiclassical studies of nonadiabatic electronic transitions between N(4S) and N(2D) by collisions with N2
Full-Dimensional Potential Energy Surface for Ro-vibrationally Inelastic Scattering between H2 Molecules
Full-Dimensional Global Potential Energy Surface for the KRb + KRb → K2Rb2* → K2 + Rb2 Reaction with Accurate Long-Range Interactions and Quantum Statistical Calculation of the Product State Distribution under Ultracold Conditions
Rainbow scattering in rotationally inelastic collisions of HCl and H2
Exploring reactivity and product formation in N(4S) collisions with pristine and defected graphene with direct dynamics simulations
Time-independent quantum theory on vibrational inelastic scattering between atoms and open-shell diatomic molecules: Applications to NO + Ar and NO + H scattering
Theoretical Investigations of Rate Coefficients for H + O3 and HO2 + O Reactions on a Full-Dimensional Potential Energy Surface
A Global Full-Dimensional Potential Energy Surface for the K2Rb2 Complex and Its Lifetime
Quantum Stereodynamics of H2 Scattering from Co(0001): Influence of Reaction Channels
Anab initiobased full-dimensional potential energy surface for OH + O2⇄ HO3and low-lying vibrational levels of HO3
Dissection of the multichannel reaction of acetylene with atomic oxygen: from the global potential energy surface to rate coefficients and branching dynamics
Correlating DFT Calculations With CO Oxidation Reactivity on Ga-Doped Pt/CeO2 Single Atom Catalysts
Ab initio molecular dynamics study of the Eley-Rideal reaction of H + Cl–Au(111) → HCl + Au(111): Impact of energy dissipation to surface phonons and electron-hole pairs
Selective hydrogenation of 1,3-butadiene catalyzed by a single Pd atom anchored on graphene: the importance of dynamics
State-to-state mode specificity in H + DOH(νOH = 1) → HD + OH(ν2 = 0) reaction: vibrational non-adiabaticity or local-mode excitation?
Fermi resonance controlled product branching in the H + HOD reaction
Experimental and theoretical studies of the reactions of ground-state sulfur atoms with hydrogen and deuterium
Dynamic mapping of conical intersection seams: A general method for incorporating the geometric phase in adiabatic dynamics in polyatomic systems
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