Lista de obras -

A Global Full-Dimensional Potential Energy Surface for the K2Rb2 Complex and Its Lifetime

artículo científico publicado en 2020

A full-dimensional ab initio intermolecular potential energy surface and ro-vibrational spectra for N2-HF and N2-DF

artículo científico publicado en 2020

A full-dimensional potential energy surface and quantum dynamics of inelastic collision process for H2-HF

artículo científico publicado en 2018

A new full-dimensional ab initio intermolecular potential energy surface and vibrational states for (HF)2 and (DF)2

artículo científico publicado en 2019

Accurate Determination of Tunneling-Affected Rate Coefficients: Theory Assessing Experiment

artículo científico publicado en 2017

An ab initio based full-dimensional potential energy surface for OH + O2⇄ HO3 and low-lying vibrational levels of HO3

artículo científico publicado en 2019

An improved coupled-states approximation including the nearest neighbor Coriolis couplings for diatom-diatom inelastic collision.

artículo científico publicado en 2018

An interaction-asymptotic region decomposition method for general state-to-state reactive scatterings

scientific article published on 01 April 2019

Anomalous kinetics of the reaction between OH and HO2 on an accurate triplet state potential energy surface

scientific article published on 04 June 2019

Breakdown of energy transfer gap laws revealed by full-dimensional quantum scattering between HF molecules

artículo científico publicado en 2019

Combined Molecular Dynamics and Coordinate Driving Method for Automatic Reaction Pathway Search of Reactions in Solution

artículo científico publicado en 2018

Correction to "Rate Coefficients of the HCl + OH → Cl + H2O Reaction from Ring Polymer Molecular Dynamics".

artículo científico publicado en 2017

Hydroxyl super rotors from vacuum ultraviolet photodissociation of water

scientific article published on 19 March 2019

Identification of the Band Gap Energy of Two-dimensional (OA)2(MA)n-1PbnI3n+1 Perovskite with up to 10 Layers

scientific article published on 01 November 2019

Insights into the Mechanism of Nonadiabatic Photodissociation from Product Vibrational Distributions. The Remarkable Case of Phenol

scientific article published on 19 December 2019

Mode Specificity in the OH + HO2 → H2O + O2 Reaction: Enhancement of Reactivity by Exciting a Spectator Mode

artículo científico publicado en 2020

Nonadiabatic Dynamics in Photodissociation of Hydroxymethyl in the 32A(3px) Rydberg State: A Nine-Dimensional Quantum Study

article

Nonadiabatic Effect in Photodissociation Dynamics of Thiophenol via the 1ππ* State

scientific article published on 12 June 2018

Origin of the "odd" behavior in the ultraviolet photochemistry of ozone

artículo científico publicado en 2020

Predicted infrared spectra in the HF stretching band of the H2-HF complex

scientific article published on 01 September 2018

Probing the Potential Energy Surfaces of BrCN- by Dissociative Electron Attachment

artículo científico publicado en 2020

Publisher's Note: "An improved coupled-states approximation including the nearest neighbor Coriolis couplings for diatom-diatom inelastic collision" [J. Chem. Phys. 148, 084101 (2018)]

artículo científico publicado en 2018

Quantum Dynamics of Rotational Energy Transfer Processes for N<sub>2</sub>-HF and N<sub>2</sub>-DF Systems

artículo científico publicado en 2020

Quantum dynamics of ClH2O- photodetachment: Isotope effect and impact of anion vibrational excitation.

artículo científico publicado en 2018

Quantum dynamics of vibration-vibration energy transfer for vibrationally excited HF colliding with H

article

Quantum wavepacket method for state-to-state reactive cross sections in hyperspherical coordinates

artículo científico publicado en 2018

Signatures of a Conical Intersection in Adiabatic Dissociation on the Ground Electronic State.

artículo científico publicado en 2018

Statistical quantum mechanical approach to diatom-diatom capture dynamics and application to ultracold KRb + KRb reaction

scientific article published on 01 June 2020

Three-Dimensional Diabatic Potential Energy Surfaces for the Photodissociation of Thiophenol

artículo científico publicado en 2017

Water Photolysis and Its Contributions to the Hydroxyl Dayglow Emissions in the Atmospheres of Earth and Mars

scientific article published on 13 October 2020

Lista de obras de

A Global Full-Dimensional Potential Energy Surface for the K2Rb2 Complex and Its Lifetime

A full-dimensional ab initio intermolecular potential energy surface and ro-vibrational spectra for N2-HF and N2-DF

A full-dimensional potential energy surface and quantum dynamics of inelastic collision process for H2-HF

A new full-dimensional ab initio intermolecular potential energy surface and vibrational states for (HF)2 and (DF)2

Accurate Determination of Tunneling-Affected Rate Coefficients: Theory Assessing Experiment

An ab initio based full-dimensional potential energy surface for OH + O2⇄ HO3 and low-lying vibrational levels of HO3

An improved coupled-states approximation including the nearest neighbor Coriolis couplings for diatom-diatom inelastic collision.

An interaction-asymptotic region decomposition method for general state-to-state reactive scatterings

Anomalous kinetics of the reaction between OH and HO2 on an accurate triplet state potential energy surface

Breakdown of energy transfer gap laws revealed by full-dimensional quantum scattering between HF molecules

Combined Molecular Dynamics and Coordinate Driving Method for Automatic Reaction Pathway Search of Reactions in Solution

Correction to "Rate Coefficients of the HCl + OH → Cl + H2O Reaction from Ring Polymer Molecular Dynamics".

Hydroxyl super rotors from vacuum ultraviolet photodissociation of water

Identification of the Band Gap Energy of Two-dimensional (OA)2(MA)n-1PbnI3n+1 Perovskite with up to 10 Layers

Insights into the Mechanism of Nonadiabatic Photodissociation from Product Vibrational Distributions. The Remarkable Case of Phenol

Mode Specificity in the OH + HO2 → H2O + O2 Reaction: Enhancement of Reactivity by Exciting a Spectator Mode

Nonadiabatic Dynamics in Photodissociation of Hydroxymethyl in the 32A(3px) Rydberg State: A Nine-Dimensional Quantum Study

Nonadiabatic Effect in Photodissociation Dynamics of Thiophenol via the 1ππ* State

Origin of the "odd" behavior in the ultraviolet photochemistry of ozone

Predicted infrared spectra in the HF stretching band of the H2-HF complex

Probing the Potential Energy Surfaces of BrCN- by Dissociative Electron Attachment

Publisher's Note: "An improved coupled-states approximation including the nearest neighbor Coriolis couplings for diatom-diatom inelastic collision" [J. Chem. Phys. 148, 084101 (2018)]

Quantum Dynamics of Rotational Energy Transfer Processes for N<sub>2</sub>-HF and N<sub>2</sub>-DF Systems

Quantum dynamics of ClH2O- photodetachment: Isotope effect and impact of anion vibrational excitation.

Quantum dynamics of vibration-vibration energy transfer for vibrationally excited HF colliding with H

Quantum wavepacket method for state-to-state reactive cross sections in hyperspherical coordinates

Signatures of a Conical Intersection in Adiabatic Dissociation on the Ground Electronic State.

Statistical quantum mechanical approach to diatom-diatom capture dynamics and application to ultracold KRb + KRb reaction

Three-Dimensional Diabatic Potential Energy Surfaces for the Photodissociation of Thiophenol

Water Photolysis and Its Contributions to the Hydroxyl Dayglow Emissions in the Atmospheres of Earth and Mars