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Journal Articles

Unraveling interactions and catalytic mechanisms of ionic liquid [Bmim][BF4] and styrene oxide using sum frequency spectroscopy

Dujuan Meng, Linyu Han, Caihe Liu, Yuening Zhang, Xujin Qin, Yu Bai, Yuan Guo, Zhen Zhang

Chin. J. Chem. Phys. 37, 420–428 (2024)

https://doi.org/10.1063/1674-0068/cjcp2401001

Published: June 2024

View articletitled, Unraveling interactions and catalytic mechanisms of ionic liquid [Bmim][BF4] and styrene oxide using sum frequency spectroscopy

Includes: Supplementary data

Journal Articles

Quantum dynamics study of OH⁻+CH₃I reaction: Reaction probability, integral cross section, and energy efficacy

Shenyan Rao, Dunyou Wang

Chin. J. Chem. Phys. 36, 169 (2023)

https://doi.org/10.1063/1674-0068/cjcp2203054

Published: April 2023

View articletitled, Quantum dynamics study of OH−+CH3I reaction: Reaction probability, integral cross section, and energy efficacy

Journal Articles

Mode specificity dynamics of prototypical multi-channel H+CH₃OH reaction on globally accurate potential energy surface

Dandan Lu, Jun Li

Chin. J. Chem. Phys. 35, 481–487 (2022)

https://doi.org/10.1063/1674-0068/cjcp2201018

Published: June 2022

View articletitled, Mode specificity dynamics of prototypical multi-channel H+CH3OH reaction on globally accurate potential energy surface

Journal Articles

Effects of vibrational and rotational excitations on dissociative chemisorption dynamics of N₂ on Fe(111)

Huixia Shi, Tianhui Liu, Yanlin Fu, Hao Wu, Bina Fu, Dong H. Zhang

Chin. J. Chem. Phys. 35, 443–450 (2022)

https://doi.org/10.1063/1674-0068/cjcp2201009

Published: June 2022

View articletitled, Effects of vibrational and rotational excitations on dissociative chemisorption dynamics of N2 on Fe(111)

Journal Articles

Time-dependent quantum wave packet calculation for reaction S − ( 2 P ) + H 2 ( 1 Σ g + ) → SH − ( 1 Σ ) + H ( 2 S ) on ab Initio potential energy surface

Hong-yu Ma, Cheng-yuan Zhang, Yu-zhi Song, Feng-cai Ma, Yong-qing Li

Chin. J. Chem. Phys. 35, 338–344 (2022)

https://doi.org/10.1063/1674-0068/cjcp2111239

Published: April 2022

View articletitled, Time-dependent quantum wave packet calculation for reaction S − ( 2 P ) + H 2 ( 1 Σ g + ) → SH − ( 1 Σ ) + H ( 2 S ) on ab Initio potential energy surface

Journal Articles

Theoretical description of water from single-molecule to condensed phase: Recent progress on potential energy surfaces and molecular dynamics

Jun Chen, Wei Zhuang

Chin. J. Chem. Phys. 35, 227–241 (2022)

https://doi.org/10.1063/1674-0068/cjcp2201005

Published: April 2022

View articletitled, Theoretical description of water from single-molecule to condensed phase: Recent progress on potential energy surfaces and molecular dynamics

Journal Articles

Are fulleranes responsible for the 21 micron feature?

Yong Zhang

Chin. J. Chem. Phys. 33, 101–106 (2020)

https://doi.org/10.1063/1674-0068/cjcp1911203

Published: February 2020

View articletitled, Are fulleranes responsible for the 21 micron feature?

Journal Articles

Theoretical study on direction of vibrational transition dipole moment of XH stretching vibration in HXD

Kaito Takahashi

Chin. J. Chem. Phys. 33, 13–22 (2020)

https://doi.org/10.1063/1674-0068/cjcp1910191

Published: February 2020

View articletitled, Theoretical study on direction of vibrational transition dipole moment of XH stretching vibration in HXD

Journal Articles

Ro-vibrational spectra of the simplest deuterated criegee intermediate CD₂OO

Jun Li

Chin. J. Chem. Phys. 33, 65–68 (2020)

https://doi.org/10.1063/1674-0068/cjcp1911195

Published: February 2020

View articletitled, Ro-vibrational spectra of the simplest deuterated criegee intermediate CD2OO

Journal Articles

Infrared Spectra, Structures and Bonding of Binuclear Transition Metal Carbonyl Cluster Ions

Guan-jun Wang, Ming-fei Zhou

Chin. J. Chem. Phys. 31, 1–11 (2018)

https://doi.org/10.1063/1674-0068/31/cjcp1710192

Published: February 2018

View articletitled, Infrared Spectra, Structures and Bonding of Binuclear Transition Metal Carbonyl Cluster Ions

Journal Articles

Structural Dynamics of Phenyl Azide in Light-Absorbing Excited States: Resonance Raman and Quantum Mechanical Calculation Study

Rong-dan Yuan, Jia-dan Xue, Xu-ming Zheng

Chin. J. Chem. Phys. 29, 21–30 (2016)

https://doi.org/10.1063/1674-0068/29/cjcp1510213

Published: February 2016

View articletitled, Structural Dynamics of Phenyl Azide in Light-Absorbing Excited States: Resonance Raman and Quantum Mechanical Calculation Study

Journal Articles

Observation of Excited ν_s(NO₂) and Relaxation Process of HNS in Solution by CARS Technique

Gen-bai Chu, Min Shui, Yun-fei Song, Tao Xu, Yu-qiu Gu, Yan-qiang Yang

Chin. J. Chem. Phys. 28, 49–53 (2015)

https://doi.org/10.1063/1674-0068/28/cjcp1409153

Published: February 2015

View articletitled, Observation of Excited νs(NO2) and Relaxation Process of HNS in Solution by CARS Technique

Journal Articles

Decay Dynamics of N, N-Dimethylthioacetamide in S₃(ππ*) State

Xiao Chen, Jia-dan Xue, Xu-ming Zheng

Chin. J. Chem. Phys. 28, 27–34 (2015)

https://doi.org/10.1063/1674-0068/28/cjcp1409152

Published: February 2015

View articletitled, Decay Dynamics of N, N-Dimethylthioacetamide in S3(ππ*) State

Journal Articles

Structural Dynamics of 3-Dimethylamino-2-methyl-propenal in S₂(ππ*) State

Sheng Pan, Jia-Dan Xue, Xu-ming Zheng

Chin. J. Chem. Phys. 27, 149–158 (2014)

https://doi.org/10.1063/1674-0068/27/02/149-158

Published: April 2014

View articletitled, Structural Dynamics of 3-Dimethylamino-2-methyl-propenal in S2(ππ*) State

Journal Articles

Coherent Vibrational Dynamics and High‐resolution Nonlinear Spectroscopy: A Comparison with the Air/DMSO Liquid Interface

Luis Velarde, Zhou Lu, Hong‐fei Wang

Chin. J. Chem. Phys. 26, 710–720 (2013)

https://doi.org/10.1063/1674-0068/26/06/710-720

Published: December 2013

View articletitled, Coherent Vibrational Dynamics and High‐resolution Nonlinear Spectroscopy: A Comparison with the Air/DMSO Liquid Interface

Journal Articles

Vibrational Spectra and Density Functional Theory Calculations of Metallotriphenylcorroles

Hui‐ling Gao, Fang Chen, Chun‐lei Wang, Guo‐bing Wang, Dong‐ming Chen

Chin. J. Chem. Phys. 26, 398–408 (2013)

https://doi.org/10.1063/1674-0068/26/04/398-408

Published: August 2013

View articletitled, Vibrational Spectra and Density Functional Theory Calculations of Metallotriphenylcorroles

Journal Articles

Efficient Coherent Population Transfer of D 2 Molecules by Stark‐Induced Adiabatic Raman Passage

Tao Wang, Tian‐gang Yang, Chun‐lei Xiao, Dong‐xu Dai, Xue‐ming Yang

Chin. J. Chem. Phys. 26, 8–12 (2013)

https://doi.org/10.1063/1674-0068/26/01/8-12

Published: February 2013

View articletitled, Efficient Coherent Population Transfer of D 2 Molecules by Stark‐Induced Adiabatic Raman Passage

Journal Articles

Vibrational Spectra and Quantum Calculations of Ethylbenzene

Jian Wang, Xue-jun Qiu, Yan-mei Wang, Song Zhang, Bing Zhang

Chin. J. Chem. Phys. 25, 526–532 (2012)

https://doi.org/10.1088/1674-0068/25/05/526-532

Published: October 2012

View articletitled, Vibrational Spectra and Quantum Calculations of Ethylbenzene

Journal Articles

Theoretical Study on Vibrational Spectra, Detonation Properties and Pyrolysis Mechanism for Cyclic 2-Diazo-4,6-dinitrophenol

Xiao-hong Li, Geng-xin Yin, Xian-zhou Zhang

Chin. J. Chem. Phys. 25, 545–551 (2012)

https://doi.org/10.1088/1674-0068/25/05/545-551

Published: October 2012

View articletitled, Theoretical Study on Vibrational Spectra, Detonation Properties and Pyrolysis Mechanism for Cyclic 2-Diazo-4,6-dinitrophenol

Journal Articles

Time-dependent Wave Packet Quantum Scattering Study of Reaction S(³P)+H₂→HS+H on a New ab initio Potential Energy Surface ³A′

Shuang-jiang Lv, Pei-yu Zhang, Guo-zhong He

Chin. J. Chem. Phys. 25, 291–296 (2012)

https://doi.org/10.1088/1674-0068/25/03/291-296

Published: June 2012

View articletitled, Time-dependent Wave Packet Quantum Scattering Study of Reaction S(3P)+H2→HS+H on a New ab initio Potential Energy Surface 3A′

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Unraveling interactions and catalytic mechanisms of ionic liquid [Bmim][BF4] and styrene oxide using sum frequency spectroscopy

Quantum dynamics study of OH⁻+CH₃I reaction: Reaction probability, integral cross section, and energy efficacy

Mode specificity dynamics of prototypical multi-channel H+CH₃OH reaction on globally accurate potential energy surface

Effects of vibrational and rotational excitations on dissociative chemisorption dynamics of N₂ on Fe(111)

Time-dependent quantum wave packet calculation for reaction S − ( 2 P ) + H 2 ( 1 Σ g + ) → SH − ( 1 Σ ) + H ( 2 S ) on ab Initio potential energy surface

Theoretical description of water from single-molecule to condensed phase: Recent progress on potential energy surfaces and molecular dynamics

Are fulleranes responsible for the 21 micron feature?

Theoretical study on direction of vibrational transition dipole moment of XH stretching vibration in HXD

Ro-vibrational spectra of the simplest deuterated criegee intermediate CD₂OO

Infrared Spectra, Structures and Bonding of Binuclear Transition Metal Carbonyl Cluster Ions

Structural Dynamics of Phenyl Azide in Light-Absorbing Excited States: Resonance Raman and Quantum Mechanical Calculation Study

Observation of Excited ν_s(NO₂) and Relaxation Process of HNS in Solution by CARS Technique

Decay Dynamics of N, N-Dimethylthioacetamide in S₃(ππ*) State

Structural Dynamics of 3-Dimethylamino-2-methyl-propenal in S₂(ππ*) State

Coherent Vibrational Dynamics and High‐resolution Nonlinear Spectroscopy: A Comparison with the Air/DMSO Liquid Interface

Vibrational Spectra and Density Functional Theory Calculations of Metallotriphenylcorroles

Efficient Coherent Population Transfer of D 2 Molecules by Stark‐Induced Adiabatic Raman Passage

Vibrational Spectra and Quantum Calculations of Ethylbenzene

Theoretical Study on Vibrational Spectra, Detonation Properties and Pyrolysis Mechanism for Cyclic 2-Diazo-4,6-dinitrophenol

Time-dependent Wave Packet Quantum Scattering Study of Reaction S(³P)+H₂→HS+H on a New ab initio Potential Energy Surface ³A′

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