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Mode Specificity in the OH + HO2 → H2O + O2 Reaction: Enhancement of Reactivity by Exciting a Spectator Mode
Molecular Reaction Dynamics by Theory , 重庆大学
Stereodynamical control of product branching in multi-channel barrierless hydrogen abstraction of CH3OH by F
Molecular Reaction Dynamics by Theory , 重庆大学
Rate coefficients and branching ratio for multi-channel hydrogen abstractions from CH3OH by F
Molecular Reaction Dynamics by Theory , 重庆大学
Photoelectron–Photofragment Coincidence Studies on the Dissociation Dynamics of the OH–CH4 Complex
Molecular Reaction Dynamics by Theory , 重庆大学
Quantum dynamical investigation of product state distributions of the F + CH3OH → HF + CH3O reaction via photodetachment of the F−(HOCH3) anion
Molecular Reaction Dynamics by Theory , 重庆大学
Thermal Rate Coefficients and Kinetic Isotope Effects for the Reaction OH + CH4 → H2O + CH3 on an ab Initio-Based Potential Energy Surface
Molecular Reaction Dynamics by Theory , 重庆大学
Feshbach resonances in the exit channel of the F + CH3OH → HF + CH3O reaction observed using transition-state spectroscopy
Molecular Reaction Dynamics by Theory , 重庆大学
Effects of vibrational excitation on the F + H2O → HF + OH reaction: dissociative photodetachment of overtone-excited [F–H–OH]−
Molecular Reaction Dynamics by Theory , 重庆大学
Kinetics and dynamics of the C(3P) + H2O reaction on a full-dimensional accurate triplet state potential energy surface
Molecular Reaction Dynamics by Theory , 重庆大学
Correction: Kinetics and dynamics of the C(3P) + H2O reaction on a full-dimensional accurate triplet state potential energy surface
Molecular Reaction Dynamics by Theory , 重庆大学
Rotational excitation of the interstellar NH2 radical by H2
Molecular Reaction Dynamics by Theory , 重庆大学
An accurate multi-channel multi-reference full-dimensional global potential energy surface for the lowest triplet state of H2O2
Molecular Reaction Dynamics by Theory , 重庆大学
Potential energy surfaces from high fidelity fitting ofab initiopoints: the permutation invariant polynomial - neural network approach
Molecular Reaction Dynamics by Theory , 重庆大学
Imaging a multidimensional multichannel potential energy surface: Photodetachment of H−(NH3) and NH4−
Molecular Reaction Dynamics by Theory , 重庆大学
Permutation invariant potential energy surfaces for polyatomic reactions using atomistic neural networks
Molecular Reaction Dynamics by Theory , 重庆大学
Mode specificity in the OH + CHD3 reaction: Reduced-dimensional quantum and quasi-classical studies on an ab initio based full-dimensional potential energy surface
Molecular Reaction Dynamics by Theory , 重庆大学
Communication: An accurate full 15 dimensional permutationally invariant potential energy surface for the OH + CH4 → H2O + CH3 reaction
Molecular Reaction Dynamics by Theory , 重庆大学
Permutationally invariant fitting of intermolecular potential energy surfaces: A case study of the Ne-C2H2 system
Molecular Reaction Dynamics by Theory , 重庆大学
Rate Coefficient for the4Heμ + CH4Reaction at 500 K: Comparison between Theory and Experiment
Molecular Reaction Dynamics by Theory , 重庆大学
Mode specific dynamics of the H2 + CH3 → H + CH4 reaction studied using quasi-classical trajectory and eight-dimensional quantum dynamics methods
Molecular Reaction Dynamics by Theory , 重庆大学
Full-Dimensional Potential Energy Surface and Ro-vibrational Levels of Dioxirane
Molecular Reaction Dynamics by Theory , 重庆大学
Vibrational energy levels of the simplest Criegee intermediate (CH2OO) from full-dimensional Lanczos, MCTDH, and MULTIMODE calculations
Molecular Reaction Dynamics by Theory , 重庆大学
Infrared spectrum of the simplest Criegee intermediate CH2OO at resolution 0.25 cm−1 and new assignments of bands 2ν9 and ν5
Molecular Reaction Dynamics by Theory , 重庆大学
A permutationally invariant full-dimensional ab initio potential energy surface for the abstraction and exchange channels of the H + CH4 system
Molecular Reaction Dynamics by Theory , 重庆大学
From ab Initio Potential Energy Surfaces to State-Resolved Reactivities: X + H2O ↔ HX + OH [X = F, Cl, and O(3P)] Reactions
Molecular Reaction Dynamics by Theory , 重庆大学
Near Spectroscopically Accurate Ab Initio Potential Energy Surface for NH4+and Variational Calculations of Low-Lying Vibrational Levels
Molecular Reaction Dynamics by Theory , 重庆大学
Final state-resolved mode specificity in HX + OH → X + H2O (X = F and Cl) reactions: A quasi-classical trajectory study
Molecular Reaction Dynamics by Theory , 重庆大学
Explicitly correlated MRCI-F12 potential energy surfaces for methane fit with several permutation invariant schemes and full-dimensional vibrational calculations
Molecular Reaction Dynamics by Theory , 重庆大学
State-Resolved Quantum Dynamics of Photodetachment of HCO2−/DCO2− on an Accurate Global Potential Energy Surface
Molecular Reaction Dynamics by Theory , 重庆大学
An experimental and theoretical study on rotational constants of vibrationally excited CH2OO
Molecular Reaction Dynamics by Theory , 重庆大学
Insights into the bond-selective reaction of Cl + HOD(nOH) → HCl + OD
Molecular Reaction Dynamics by Theory , 重庆大学
Mode specificity in the HF + OH → F + H2O reaction
Molecular Reaction Dynamics by Theory , 重庆大学
Hemibond complexes between H2S and free radicals (F, Cl, Br, and OH)
Molecular Reaction Dynamics by Theory , 重庆大学
A comparison study of the H + CH4 and H + SiH4 reactions with eight-dimensional quantum dynamics: normal mode versus local mode in the reactant molecule vibration
Molecular Reaction Dynamics by Theory , 重庆大学
Nine-dimensional quantum dynamics study of the H2+ NH2→ H + NH3reaction: a rigorous test of the sudden vector projection model
Molecular Reaction Dynamics by Theory , 重庆大学
High-Level, First-Principles, Full-Dimensional Quantum Calculation of the Ro-vibrational Spectrum of the Simplest Criegee Intermediate (CH2OO)
Molecular Reaction Dynamics by Theory , 重庆大学
Full-dimensional characterization of photoelectron spectra of HOCO−and DOCO−and tunneling facilitated decay of HOCO prepared by anion photodetachment
Molecular Reaction Dynamics by Theory , 重庆大学
Mode Specificity and Product Energy Disposal in Unimolecular Reactions: Insights from the Sudden Vector Projection Model
Molecular Reaction Dynamics by Theory , 重庆大学
Effects of reactant rotation on the dynamics of the OH + CH4 → H2O + CH3 reaction: A six-dimensional study
Molecular Reaction Dynamics by Theory , 重庆大学
A nine-dimensional global potential energy surface for NH4(X2A1) and kinetics studies on the H + NH3 ↔ H2 + NH2 reaction
Molecular Reaction Dynamics by Theory , 重庆大学
Quantum and quasi-classical dynamics of the OH + CO → H + CO2reaction on a new permutationally invariant neural network potential energy surface
Molecular Reaction Dynamics by Theory , 重庆大学
Effects of reactant rotational excitation on reactivity: Perspectives from the sudden limit
Molecular Reaction Dynamics by Theory , 重庆大学
Permutation invariant polynomial neural network approach to fitting potential energy surfaces. II. Four-atom systems
Molecular Reaction Dynamics by Theory , 重庆大学
Accurate Determination of Barrier Height and Kinetics for the F + H2O → HF + OH Reaction
Molecular Reaction Dynamics by Theory , 重庆大学
Quasi‐classical Trajectory Study of F+H2O→HF+OH Reaction: Influence of Barrier Height, Reactant Rotational Excitation, and Isotopic Substitution
Molecular Reaction Dynamics by Theory , 重庆大学
Quasi‐classical Trajectory Study of F+H2O→HF+OH Reaction: Influence of Barrier Height, Reactant Rotational Excitation, and Isotopic Substitution
Molecular Reaction Dynamics by Theory , 重庆大学
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
Molecular Reaction Dynamics by Theory , 重庆大学
Mode selectivity in methane dissociative chemisorption on Ni(111)
Molecular Reaction Dynamics by Theory , 重庆大学
A new ab initio based global HOOH(13A″) potential energy surface for the O(3P) + H2O(X1A1) ↔ OH(X2Π) + OH(X2Π) reaction
Molecular Reaction Dynamics by Theory , 重庆大学
Communication: Covalent nature of X⋯H2O (X = F, Cl, and Br) interactions
Molecular Reaction Dynamics by Theory , 重庆大学
Iron cation catalyzed reduction of N2O by CO: gas-phase temperature dependent kinetics
Molecular Reaction Dynamics by Theory , 重庆大学
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
Molecular Reaction Dynamics by Theory , 重庆大学
Rate coefficients and kinetic isotope effects of the X + CH4 → CH3 + HX (X = H, D, Mu) reactions from ring polymer molecular dynamics
Molecular Reaction Dynamics by Theory , 重庆大学
Effects of reactant internal excitation and orientation on dissociative chemisorption of H2O on Cu(111): Quasi-seven-dimensional quantum dynamics on a refined potential energy surface
Molecular Reaction Dynamics by Theory , 重庆大学
Reactant Vibrational Excitations Are More Effective than Translational Energy in Promoting an Early-Barrier Reaction F + H2O → HF + OH
Molecular Reaction Dynamics by Theory , 重庆大学
CO2Vibrational State Distributions From Quasi-Classical Trajectory Studies of the HO + CO → H + CO2Reaction and H + CO2Inelastic Collision
Molecular Reaction Dynamics by Theory , 重庆大学
Enhancement of bimolecular reactivity by a pre-reaction van der Waals complex: the case of F + H2O → HF + HO
Molecular Reaction Dynamics by Theory , 重庆大学
Mode Selectivity for a “Central” Barrier Reaction: Eight-Dimensional Quantum Studies of the O(3P) + CH4 → OH + CH3 Reaction on an Ab Initio Potential Energy Surface
Molecular Reaction Dynamics by Theory , 重庆大学
An ab initio based full-dimensional global potential energy surface for FH2O(X2A′) and dynamics for the F + H2O → HF + HO reaction
Molecular Reaction Dynamics by Theory , 重庆大学
Quantum Dynamics of the HO + CO → H + CO2 Reaction on an Accurate Potential Energy Surface
Molecular Reaction Dynamics by Theory , 重庆大学
Tunneling Facilitated Dissociation toH+CO2inHOCO−Photodetachment
Molecular Reaction Dynamics by Theory , 重庆大学
Quasi-classical trajectory study of the H + CO2 → HO + CO reaction on a new ab initio based potential energy surface
Molecular Reaction Dynamics by Theory , 重庆大学
Quasi-Classical Trajectory Study of the HO + CO → H + CO2Reaction on a New ab Initio Based Potential Energy Surface
Molecular Reaction Dynamics by Theory , 重庆大学
Communication: A chemically accurate global potential energy surface for the HO + CO → H + CO2 reaction
Molecular Reaction Dynamics by Theory , 重庆大学
High-Fidelity Potential Energy Surfaces for Gas Phase and Gas-Surface Scattering Processes from Machine Learning
Molecular Reaction Dynamics by Theory , 重庆大学
Comprehensive Investigations of the Cl + CH 3 OH → HCl + CH 3 O/CH 2 OH Reaction: Validation of Experiment and Dynamic Insights
Molecular Reaction Dynamics by Theory , 重庆大学
Copper adhesive tape attached to the reverse side of a non-conductive glass slide to achieve protein MALDI-imaging in FFPE-tissue sections
新型多组学研究综合实验室（王晓东课题组） , 中央民族大学