Hua Guo

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 190

Top Venues

The journal of physical chemistry. A

The journal of physical chemistry letters

Physical chemistry chemical physics : PCCP

The Journal of chemical physics

University of New Mexico

Sichuan University (MSC)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of New Mexico Sep 01 1998

United States

Associate/Full/Distinguished Professor :: Department of Chemistry and Chemical Biology

University of Toledo Sep 01 1990 - Sep 01 1998

United States

Assistant/Associate Professor :: Department of Chemistry

Northwestern University Oct 01 1988 - Sep 01 1990

United States

Postdoctoral Fellow :: Department of Chemistry

Education History

Sichuan University Sep 01 1982 - Sep 01 1985

China

MSC :: Department of Chemistry

University of Electronic Science and Technology of China Sep 01 1978 - Sep 01 1982

China

BSC :: Department of Fundamental Sciences

Publications

Bikramaditya Mandal, James F E Croft, Pablo G Jambrina, Hua Guo, F Javier Aoiz, Naduvalath Balakrishnan
Stereodynamical control of cold HD + D 2 collisions. Physical chemistry chemical physics : PCCP (2024)
Guodong Zhang, Dandan Lu, Hua Guo, Hong Gao
Imaging the state-to-state charge-transfer dynamics between the spin-orbit excited Ar + ( 2 P 1/2 ) ion and N 2 . Nature communications 15 (1) (2024)
Guodong Zhang, Dandan Lu, Hua Guo, Hong Gao
Imaging the state-to-state charge-transfer dynamics between the spin-orbit excited Ar + ( 2 P 1/2 ) ion and N 2 . Nature communications 15 (1) (2024)
Maximilian E Huber, Tucker W R Lewis, Marcel Meta, Shaun G Ard, Yang Liu, Brendan C Sweeny, Hua Guo, Milan Ončák, Nicholas S Shuman, Jennifer Meyer
Ta + and Nb + + CO 2 : intersystem crossing in ion-molecule reactions. Physical chemistry chemical physics : PCCP 26 (11) (2024)
Yang Liu, Milan Ončák, Jennifer Meyer, Shaun G Ard, Nicholas S Shuman, Albert A Viggiano, Hua Guo
Intersystem Crossing Control of the Nb + + CO 2 → NbO + + CO Reaction. The journal of physical chemistry. A 128 (33) (2024)
Yinan Shu, Farideh Badichi Akher, Hua Guo, Donald G Truhlar
Parametrically Managed Activation Functions for Improved Global Potential Energy Surfaces for Six Coupled 5 A ' States and Fourteen Coupled 3 A ' States of O + O 2 . The journal of physical chemistry. A (2024)
Junhong Li, Hua Guo, Jun Li
Energy- and Angle-Resolved Scattering of Ne from Dodecane Liquid Surfaces: Theory Corroborating Experiment. The journal of physical chemistry letters (2024)
Rui Zhang, Shuaiting Yan, Hongwei Song, Hua Guo, Chuangang Ning
Probing the activated complex of the F + NH 3 reaction via a dipole-bound state. Nature communications 15 (1) (2024)
Yang Liu, Pablo G Jambrina, James F E Croft, Naduvalath Balakrishnan, F Javier Aoiz, Hua Guo
New Full-Dimensional Reactive Potential Energy Surface for the H 4 System. Journal of chemical theory and computation 20 (5) (2024)
Pablo G Jambrina, James F E Croft, Naduvalath Balakrishnan, Hua Guo, F Javier Aoiz
Determination of collision mechanisms at low energies using four-vector correlations. Faraday discussions 251 (0) (2024)
Yinan Shu, Farideh Badichi Akher, Hua Guo, Donald G Truhlar
Parametrically Managed Activation Functions for Improved Global Potential Energy Surfaces for Six Coupled 5 A ' States and Fourteen Coupled 3 A ' States of O + O 2 . The journal of physical chemistry. A 128 (7) (2024)
Bikramaditya Mandal, James F E Croft, Pablo G Jambrina, Hua Guo, F Javier Aoiz, Naduvalath Balakrishnan
Stereodynamical control of cold HD + D 2 collisions. Physical chemistry chemical physics : PCCP 26 (26) (2024)
Dao-Fu Yuan, Yang Liu, Tarek Trabelsi, Yue-Rou Zhang, Jun Li, Joseph S Francisco, Hua Guo, Lai-Sheng Wang
Probing the dynamics and bottleneck of the key atmospheric SO 2 oxidation reaction by the hydroxyl radical. Proceedings of the National Academy of Sciences of the United States of America 121 (6) (2024)
Dao-Fu Yuan, Yang Liu, Tarek Trabelsi, Yue-Rou Zhang, Jun Li, Joseph S Francisco, Hua Guo, Lai-Sheng Wang
Probing the dynamics and bottleneck of the key atmospheric SO 2 oxidation reaction by the hydroxyl radical. Proceedings of the National Academy of Sciences of the United States of America 121 (6) (2024)
Yang Liu, Milan Ončák, Jennifer Meyer, Shaun G Ard, Nicholas S Shuman, Albert A Viggiano, Hua Guo
Multistate Dynamics and Kinetics of CO 2 Activation by Ta + in the Gas Phase: Insights into Single-Atom Catalysis. Journal of the American Chemical Society 146 (20) (2024)
Pablo G Jambrina, James F E Croft, Naduvalath Balakrishnan, Hua Guo, F Javier Aoiz
Determination of collision mechanisms at low energies using four-vector correlations. Faraday discussions 251 (0) (2024)
Yang Liu, Milan Ončák, Jennifer Meyer, Shaun G Ard, Nicholas S Shuman, Albert A Viggiano, Hua Guo
Intersystem Crossing Control of the Nb + + CO 2 → NbO + + CO Reaction. The journal of physical chemistry. A (2024)
Dandan Lu, Hua Guo
Correction to "Quantum and Semiclassical Dynamics of Nonadiabatic Electronic Excitation of C( 3 P) to C( 1 D) by Hyperthermal Collisions with N 2 ". The journal of physical chemistry. A 128 (13) (2024)
Guodong Zhang, Dandan Lu, Hua Guo, Hong Gao
Imaging the state-to-state charge-transfer dynamics between the spin-orbit excited Ar + ( 2 P 1/2 ) ion and N 2 . Nature communications 15 (1) (2024)
Dao-Fu Yuan, Yang Liu, Tarek Trabelsi, Yue-Rou Zhang, Jun Li, Joseph S Francisco, Hua Guo, Lai-Sheng Wang
Probing the dynamics and bottleneck of the key atmospheric SO 2 oxidation reaction by the hydroxyl radical. Proceedings of the National Academy of Sciences of the United States of America 121 (6) (2024)
Yang Liu, Milan Ončák, Jennifer Meyer, Shaun G Ard, Nicholas S Shuman, Albert A Viggiano, Hua Guo
Multistate Dynamics and Kinetics of CO 2 Activation by Ta + in the Gas Phase: Insights into Single-Atom Catalysis. Journal of the American Chemical Society (2024)
Dandan Lu, Hua Guo
Correction to "Quantum and Semiclassical Dynamics of Nonadiabatic Electronic Excitation of C( 3 P) to C( 1 D) by Hyperthermal Collisions with N 2 ". The journal of physical chemistry. A (2024)
Naduvalath Balakrishnan, Pablo G Jambrina, James F E Croft, Hua Guo, F Javier Aoiz
Quantum stereodynamics of cold molecular collisions. Chemical communications (Cambridge, England) (2024)
Dao-Fu Yuan, Yang Liu, Tarek Trabelsi, Yue-Rou Zhang, Jun Li, Joseph S Francisco, Hua Guo, Lai-Sheng Wang
Probing the dynamics and bottleneck of the key atmospheric SO 2 oxidation reaction by the hydroxyl radical. Proceedings of the National Academy of Sciences of the United States of America 121 (6) (2024)
Rui Zhang, Shuaiting Yan, Hongwei Song, Hua Guo, Chuangang Ning
Probing the activated complex of the F + NH 3 reaction via a dipole-bound state. Nature communications 15 (1) (2024)
Junyan Wang, Changjian Xie, Xixi Hu, Hua Guo, Dai-Qian Xie
Impact of Geometric Phase on Dynamics of Complex-Forming Reactions: H + O 2 → OH + O. The journal of physical chemistry letters 15 (16) (2024)
Maximilian E Huber, Tucker W R Lewis, Marcel Meta, Shaun G Ard, Yang Liu, Brendan C Sweeny, Hua Guo, Milan Ončák, Nicholas S Shuman, Jennifer Meyer
Ta + and Nb + + CO 2 : intersystem crossing in ion-molecule reactions. Physical chemistry chemical physics : PCCP (2024)
Bikramaditya Mandal, James F E Croft, Pablo G Jambrina, Hua Guo, F Javier Aoiz, Naduvalath Balakrishnan
Stereodynamical control of cold HD + D 2 collisions. Physical chemistry chemical physics : PCCP 26 (26) (2024)
Guodong Zhang, Dandan Lu, Min Cheng, Hua Guo, Hong Gao
Frustrated charge transfer in vibrationally inelastic Ar + +N 2 collisions via hard collision glory scattering. Nature communications 15 (1) (2024)
Dongzheng Yang, Hua Guo
Full-dimensional coupled-channel statistical approach to atom-triatom systems and applications to H/D + O 3 reaction. Journal of computational chemistry (2024)
Yang Liu, Pablo G Jambrina, James F E Croft, Naduvalath Balakrishnan, F Javier Aoiz, Hua Guo
New Full-Dimensional Reactive Potential Energy Surface for the H 4 System. Journal of chemical theory and computation (2024)
Pablo G Jambrina, James F E Croft, Naduvalath Balakrishnan, Hua Guo, F Javier Aoiz
Determination of collision mechanisms at low energies using four-vector correlations. Faraday discussions (2024)
Junyan Wang, Changjian Xie, Xixi Hu, Hua Guo, Dai-Qian Xie
Impact of Geometric Phase on Dynamics of Complex-Forming Reactions: H + O 2 → OH + O. The journal of physical chemistry letters (2024)
Guodong Zhang, Dandan Lu, Hua Guo, Hong Gao
Imaging the state-to-state charge-transfer dynamics between the spin-orbit excited Ar + ( 2 P 1/2 ) ion and N 2 . Nature communications 15 (1) (2024)
Naduvalath Balakrishnan, Pablo G Jambrina, James F E Croft, Hua Guo, F Javier Aoiz
Quantum stereodynamics of cold molecular collisions. Chemical communications (Cambridge, England) 60 (10) (2024)
Rui Zhang, Shuaiting Yan, Hongwei Song, Hua Guo, Chuangang Ning
Probing the activated complex of the F + NH 3 reaction via a dipole-bound state. Nature communications 15 (1) (2024)
Junhong Li, Hua Guo, Jun Li
Energy- and Angle-Resolved Scattering of Ne from Dodecane Liquid Surfaces: Theory Corroborating Experiment. The journal of physical chemistry letters 15 (22) (2024)
Dandan Lu, Miguel González, Hua Guo
Formation of N( 2 D) from Hyperthermal Collisions between O( 3 P) and NO(X 2 Π). The journal of physical chemistry. A (2023)
Liang Zhang, Junxiang Zuo, Yury V Suleimanov, Hua Guo
Ring Polymer Molecular Dynamics Approach to Quantum Dissociative Chemisorption Rates. The journal of physical chemistry letters (2023)
James F E Croft, Pablo G Jambrina, F Javier Aoiz, Hua Guo, Naduvalath Balakrishnan
Cold Collisions of Ro-Vibrationally Excited D 2 Molecules. The journal of physical chemistry. A (2023)
Yang Liu, Hua Guo
A Gaussian Process Based Δ-Machine Learning Approach to Reactive Potential Energy Surfaces. The journal of physical chemistry. A (2023)
Yafu Guan, Changjian Xie, Hua Guo, David R Yarkony
Toward a Unified Analytical Description of Internal Conversion and Intersystem Crossing in the Photodissociation of Thioformaldehyde. I. Diabatic Singlet States. Journal of chemical theory and computation (2023)
Adriana Caracciolo, Juan Carlos San Vicente Veliz, Dandan Lu, Hua Guo, Markus Meuwly, Timothy K Minton
Experimental and Theoretical Studies of Hyperthermal N + O 2 Collisions. The journal of physical chemistry. A (2023)
Dongzheng Yang, Hua Guo, Dai-Qian Xie
Recent advances in quantum theory on ro-vibrationally inelastic scattering. Physical chemistry chemical physics : PCCP 25 (5) (2023)
Shanyu Han, Changjian Xie, Xixi Hu, David R Yarkony, Hua Guo, Dai-Qian Xie
Quantum Dynamics of Photodissociation: Recent Advances and Challenges. The journal of physical chemistry letters (2023)
Dongzheng Yang, Hua Guo, Dai-Qian Xie
Recent advances in quantum theory on ro-vibrationally inelastic scattering. Physical chemistry chemical physics : PCCP (2023)
Guodong Zhang, Dandan Lu, Yufan Ding, Lichang Guan, Shanyu Han, Hua Guo, Hong Gao
Imaging of the charge-transfer reaction of spin-orbit state-selected Ar + ( 2 P 3/2 ) with N 2 reveals vibrational-state-specific mechanisms. Nature chemistry (2023)
Junyan Wang, Feng An, Junjie Chen, Xixi Hu, Hua Guo, Dai-Qian Xie
Accurate Full-Dimensional Global Diabatic Potential Energy Matrix for the Two Lowest-Lying Electronic States of the H + O 2 ↔ HO + O Reaction. Journal of chemical theory and computation (2023)
Reed Nieman, Michael Sands, Yingqi Wang, Timothy K Minton, Erin E Mussoni, Jeffrey Engerer, Hua Guo
Informing air-carbon ablation modeling with theoretical calculations of atomic oxygen and nitrogen interacting with carbon surfaces. Physical chemistry chemical physics : PCCP (2023)
Brendan C Sweeny, Bryan A Long, Dominique Maffucci, Junxiang Zuo, Hua Guo, Albert A Viggiano, Shaun G Ard, Nicholas S Shuman
Activation of Methane by Zr + : A Deep-Dive into the Potential Surface via Pressure- and Temperature-Dependent Kinetics with Statistical Modeling. The journal of physical chemistry. A (2023)
Dongzheng Yang, Hua Guo, Dai-Qian Xie
Recent advances in quantum theory on ro-vibrationally inelastic scattering. Physical chemistry chemical physics : PCCP 25 (5) (2023)
James F E Croft, Pablo G Jambrina, F Javier Aoiz, Hua Guo, Naduvalath Balakrishnan
Cold Collisions of Ro-Vibrationally Excited D 2 Molecules. The journal of physical chemistry. A 127 (7) (2023)
Brendan C Sweeny, Bryan A Long, Dominique Maffucci, Junxiang Zuo, Hua Guo, Albert A Viggiano, Shaun G Ard, Nicholas S Shuman
Activation of Methane by Zr + : A Deep-Dive into the Potential Surface via Pressure- and Temperature-Dependent Kinetics with Statistical Modeling. The journal of physical chemistry. A 127 (8) (2023)
Mateusz Suchodol, Harmina Vejayan, Xueyao Zhou, Bin Jiang, Hua Guo, Rainer D Beck
Probing Water Dissociation and Oxygen Replacement on Partially Oxygen-Covered Cu(111) by Reflection Absorption Infrared Spectroscopy. The journal of physical chemistry letters (2023)
Jiamei Quan, Rongrong Yin, Zibo Zhao, Ximei Yang, Alexander Kandratsenka, Daniel J Auerbach, Alec M Wodtke, Hua Guo, G Barratt Park
Highly Rotationally Excited N 2 Reveals Transition-State Character in the Thermal Decomposition of N 2 O on Pd(110). Journal of the American Chemical Society (2023)
Fenfei Wei, Sen Lin, Hua Guo
Direct or Precursor-Mediated? Mechanisms for Methane Dissociation on Pt(110)-(2 × 1) at Both Low and High Incidence Energies. JACS Au 3 (10) (2023)
Hongwei Song, Hua Guo
Theoretical Insights into the Dynamics of Gas-Phase Bimolecular Reactions with Submerged Barriers. ACS physical chemistry Au 3 (5) (2023)
Chatura A Perera, Chandika Amarasinghe, Hua Guo, Arthur G Suits
Cold collisions of hot molecules. Physical chemistry chemical physics : PCCP (2023)
Zibo Zhao, Yingqi Wang, Ximei Yang, Jiamei Quan, Bastian C Krüger, Paula Stoicescu, Reed Nieman, Daniel J Auerbach, Alec M Wodtke, Hua Guo, G Barratt Park
Spin-dependent reactivity and spin-flipping dynamics in oxygen atom scattering from graphite. Nature chemistry (2023)
Daniel Rösch, Yifei Xu, Hua Guo, Xixi Hu, David L Osborn
SO 2 Photodissociation at 193 nm Directly Forms S( 3 P) + O 2 ( 3 Σ g - ): Implications for the Archean Atmosphere on Earth. The journal of physical chemistry letters (2023)
Humberto da Silva, Qian Yao, Masato Morita, Brian K Kendrick, Hua Guo, Naduvalath Balakrishnan
The Li + CaF → Ca + LiF chemical reaction under cold conditions. Physical chemistry chemical physics : PCCP (2023)
Dandan Lu, Hua Guo
Quantum and Semiclassical Dynamics of Nonadiabatic Electronic Excitation of C( 3 P) to C 1 D) by Hyperthermal Collisions with N 2 . The journal of physical chemistry. A (2023)
Dongzheng Yang, Shijie Chai, Dai-Qian Xie, Hua Guo
ABC+D: A time-independent coupled-channel quantum dynamics program for elastic and ro-vibrational inelastic scattering between atoms and triatomic molecules in full dimensionality. The Journal of chemical physics 158 (5) (2023)
Huilin Pan, Bin Zhao, Hua Guo, Kopin Liu
State-to-State Dynamics in Mode-Selective Polyatomic Reactions. The journal of physical chemistry letters (2023)
Junyan Wang, Feng An, Junjie Chen, Xixi Hu, Hua Guo, Dai-Qian Xie
Accurate Full-Dimensional Global Diabatic Potential Energy Matrix for the Two Lowest-Lying Electronic States of the H + O 2 ↔ HO + O Reaction. Journal of chemical theory and computation 19 (10) (2023)
Dandan Lu, Rodrigo Urzúa-Leiva, Otoniel Denis-Alpizar, Hua Guo
Hyperthermal Dynamics and Kinetics of the C( 3 P) + N 2 (X 1 Σ g + ) → CN(X 2 Σ + ) + N( 4 S) Reaction. The journal of physical chemistry. A (2023)
Dandan Lu, Breno R L Galvão, António J C Varandas, Hua Guo
Quantum and semiclassical studies of nonadiabatic electronic transitions between N( 4 S) and N( 2 D) by collisions with N 2 . Physical chemistry chemical physics : PCCP (2023)
Lu Liu, Dongzheng Yang, Hua Guo, Dai-Qian Xie
Full-Dimensional Quantum Dynamics Studies of Ro-vibrationally Inelastic Scattering of H 2 O with Ar: A Benchmark Test of the Rigid-Rotor Approximation. The journal of physical chemistry. A 127 (1) (2022)
Mark C Babin, Martin DeWitt, Jascha A Lau, Marissa L Weichman, Jongjin B Kim, Hongwei Song, Hua Guo, Daniel M Neumark
Observation of resonances in the transition state region of the F + NH 3 reaction using anion photoelectron spectroscopy. Nature chemistry (2022)
Yilang Liu, Jing Huang, Dongzheng Yang, Dai-Qian Xie, Hua Guo
Global Full-Dimensional Potential Energy Surface for the Reaction 23 Na 87 Rb + 23 Na 87 Rb → 23 Na 2 + 87 Rb 2 and the Formation Rate and Lifetime of the 23 Na 2 87 Rb 2 Collision Complex. The journal of physical chemistry. A 126 (48) (2022)
Junxiang Zuo, Dayou Zhang, Donald G Truhlar, Hua Guo
Global Potential Energy Surfaces by Compressed-State Multistate Pair-Density Functional Theory: The Lowest Doublet States Responsible for the N( 4 S u ) + C 2 ( a 3 Π u ) → CN( X 2 Σ + ) + C( 3 P g ) Reaction. Journal of chemical theory and computation (2022)
Jia Li, Yang Liu, Hua Guo, Jun Li
An accurate full-dimensional H 4 O potential energy surface and dynamics of an exchange reaction. Physical chemistry chemical physics : PCCP 24 (44) (2022)
Ge Sun, Shanyu Han, Xianfeng Zheng, Yu Song, Yuan Qin, Richard Dawes, Dai-Qian Xie, Jingsong Zhang, Hua Guo
Unimolecular dissociation dynamics of electronically excited HCO(Ã 2 A''): rotational control of nonadiabatic decay. Faraday discussions 238 (0) (2022)
Dmitriy Borodin, Nils Hertl, G Barratt Park, Michael Schwarzer, Jan Fingerhut, Yingqi Wang, Junxiang Zuo, Florian Nitz, Georgios Skoulatakis, Alexander Kandratsenka, Daniel J Auerbach, Dirk Schwarzer, Hua Guo, Theofanis N Kitsopoulos, Alec M Wodtke
Quantum effects in thermal reaction rates at metal surfaces. Science (New York, N.Y.) 377 (6604) (2022)
Qixin Chen, Shuwen Zhang, Xixi Hu, Dai-Qian Xie, Hua Guo
Reaction Pathway Control via Reactant Vibrational Excitation and Impact on Product Vibrational Distributions: The O + HO 2 → OH + O 2 Atmospheric Reaction. The journal of physical chemistry letters 13 (7) (2022)
Shanyu Han, Antonio G S de Oliveira-Filho, Yinan Shu, Donald G Truhlar, Hua Guo
Semiclassical Trajectory Studies of Reactive and Nonreactive Scattering of OH(A 2 Σ + ) by H 2 Based on an Improved Full-Dimensional Ab Initio Diabatic Potential Energy Matrix. Chemphyschem : a European journal of chemical physics and physical chemistry 23 (8) (2022)
Dongzheng Yang, Lu Liu, Dai-Qian Xie, Hua Guo
Full-dimensional quantum studies of vibrational energy transfer dynamics between H 2 O and Ar: theory assessing experiment. Physical chemistry chemical physics : PCCP 24 (22) (2022)
Xueyao Zhou, Gang Meng, Hua Guo, Bin Jiang
First-Principles Insights into Adiabatic and Nonadiabatic Vibrational Energy-Transfer Dynamics during Molecular Scattering from Metal Surfaces: The Importance of Surface Reactivity. The journal of physical chemistry letters 13 (15) (2022)
Chatura A Perera, Junxiang Zuo, Hua Guo, Arthur G Suits
Differential Cross Sections for Cold, State-to-State Spin-Orbit Changing Collisions of NO( v = 10) with Neon. The journal of physical chemistry. A 126 (21) (2022)
Yuchen Wang, Hua Guo, David R Yarkony
Internal conversion and intersystem crossing dynamics based on coupled potential energy surfaces with full geometry-dependent spin-orbit and derivative couplings. Nonadiabatic photodissociation dynamics of NH 3 (A) leading to the NH(X 3 Σ - , a 1 Δ) + H 2 channel. Physical chemistry chemical physics : PCCP 24 (24) (2022)
Qiang Wan, Sen Lin, Hua Guo
Frustrated Lewis Pairs in Heterogeneous Catalysis: Theoretical Insights. Molecules (Basel, Switzerland) 27 (12) (2022)
Mark C Babin, Martin DeWitt, Jascha A Lau, Marissa L Weichman, Jongjin B Kim, Hongwei Song, Hua Guo, Daniel M Neumark
Observation of resonances in the transition state region of the F + NH 3 reaction using anion photoelectron spectroscopy. Nature chemistry 15 (2) (2022)
Kelton A Schleyer, Jun Liu, Zixin Chen, Zhishen Wang, Yuzhao Zhang, Junxiang Zuo, Alberto Jimenez Ybargollin, Hua Guo, Lina Cui
A Universal and Modular Scaffold for Heparanase Activatable Probes and Drugs. Bioconjugate chemistry (2022)
Kerstin Krüger, Yingqi Wang, Sophia Tödter, Felix Debbeler, Anna Matveenko, Nils Hertl, Xueyao Zhou, Bin Jiang, Hua Guo, Alec M Wodtke, Oliver Bünermann
Hydrogen atom collisions with a semiconductor efficiently promote electrons to the conduction band. Nature chemistry (2022)
Dongzheng Yang, Dai-Qian Xie, Hua Guo
Stereodynamical Control of Cold Collisions of Polyatomic Molecules with Atoms. The journal of physical chemistry letters 13 (7) (2022)
Lu Liu, Dongzheng Yang, Hua Guo, Dai-Qian Xie
Full-Dimensional Quantum Dynamics Studies of Ro-vibrationally Inelastic Scattering of H 2 O with Ar: A Benchmark Test of the Rigid-Rotor Approximation. The journal of physical chemistry. A (2022)
Shulan Zhou, Qiang Wan, Sen Lin, Hua Guo
Acetylene hydrogenation catalyzed by bare and Ni doped CeO 2 (110): the role of frustrated Lewis pairs. Physical chemistry chemical physics : PCCP 24 (18) (2022)
Shanyu Han, Markus Schröder, Fabien Gatti, Hans-Dieter Meyer, David Lauvergnat, David R Yarkony, Hua Guo
Representation of Diabatic Potential Energy Matrices for Multiconfiguration Time-Dependent Hartree Treatments of High-Dimensional Nonadiabatic Photodissociation Dynamics. Journal of chemical theory and computation 18 (8) (2022)
Shanyu Han, Bin Zhao, Riccardo Conte, Christopher L Malbon, Joel M Bowman, David R Yarkony, Hua Guo
Nonadiabatic Reactive Quenching of OH( A 2 Σ + ) by H 2 : Origin of High Vibrational Excitation in the H 2 O Product. The journal of physical chemistry. A 126 (39) (2022)
Casey D Foley, Changjian Xie, Hua Guo, Arthur G Suits
Quantum resonances and roaming dynamics in formaldehyde photodissociation. Faraday discussions 238 (0) (2022)
Dandan Lu, Donald G Truhlar, Hua Guo
Reactive and Nonreactive Collisions between NO(X 2 Π) and O( 3 P) under Hyperthermal Conditions. The journal of physical chemistry. A 126 (26) (2022)
Tiangang Yang, Anyang Li, Gary K Chen, Qian Yao, Arthur G Suits, Hua Guo, Eric R Hudson, Wesley C Campbell
Isomer-specific kinetics of the C+ + H2O reaction at the temperature of interstellar clouds. Science advances 7 (2) (2021)
Qixin Chen, Xixi Hu, Hua Guo, Dai-Qian Xie
Insights into the Formation of Hydroxyl Radicals with Nonthermal Vibrational Excitation in the Meinel Airglow. The journal of physical chemistry letters 12 (7) (2021)
Jing Huang, Dongzheng Yang, Junxiang Zuo, Xixi Hu, Dai-Qian Xie, Hua Guo
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. The journal of physical chemistry. A 125 (28) (2021)
Casey D Foley, Changjian Xie, Hua Guo, Arthur G Suits
Orbiting resonances in formaldehyde reveal coupling of roaming, radical, and molecular channels. Science (New York, N.Y.) 374 (6571) (2021)
Yu Liu, Ming-Guang Hu, Matthew A Nichols, Dongzheng Yang, Daiqian Xie, Hua Guo, Kang-Kuen Ni
Precision test of statistical dynamics with state-to-state ultracold chemistry. Nature 593 (7859) (2021)
Bayaer Buren, Maodu Chen, Zhigang Sun, Hua Guo
Quantum Wave Packet Treatment of Cold Nonadiabatic Reactive Scattering at the State-To-State Level. The journal of physical chemistry. A 125 (46) (2021)
Yafu Guan, Changjian Xie, David R Yarkony, Hua Guo
High-fidelity first principles nonadiabaticity: diabatization, analytic representation of global diabatic potential energy matrices, and quantum dynamics. Physical chemistry chemical physics : PCCP 23 (44) (2021)
Apurba Nandi, Peng Zhang, Jun Chen, Hua Guo, Joel M Bowman
Quasiclassical simulations based on cluster models reveal vibration-facilitated roaming in the isomerization of CO adsorbed on NaCl. Nature chemistry 13 (3) (2021)
Abhaya K Datye, Hua Guo
Single atom catalysis poised to transition from an academic curiosity to an industrially relevant technology. Nature communications 12 (1) (2021)

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Publication Activity (10 Years)

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Hua Guo