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Journal Articles

Quantum dynamics calculations on isotope effects of hydrogen transfer isomerization in formic acid dimer

Fengyi Li, Xiaoxi Liu, Xingyu Yang, Jianwei Cao, Wensheng Bian

Chin. J. Chem. Phys. 36, 545–552 (2023)

https://doi.org/10.1063/1674-0068/cjcp2301009

Published: October 2023

View articletitled, Quantum dynamics calculations on isotope effects of hydrogen transfer isomerization in formic acid dimer

Journal Articles

Accurate quantum dynamics of the simplest isomerization system involving double-H transfer

Jia Luo, Jianwei Cao, Hao Liu, Wensheng Bian

Chin. J. Chem. Phys. 35, 185–192 (2022)

https://doi.org/10.1063/1674-0068/cjcp2112268

Published: February 2022

View articletitled, Accurate quantum dynamics of the simplest isomerization system involving double-H transfer

Journal Articles

Ring polymer molecular dynamics of the C(¹D)+H₂ reaction on the most recent potential energy surfaces

Jianwei Cao, Yanan Wu, Wensheng Bian

Chin. J. Chem. Phys. 34, 833–842 (2021)

https://doi.org/10.1063/1674-0068/cjcp2110197

Published: December 2021

View articletitled, Ring polymer molecular dynamics of the C(1D)+H2 reaction on the most recent potential energy surfaces

Journal Articles

Production of ultracold CaCCH and SrCCH molecules by direct laser cooling: A theoretical study based on accurate ab initio calculations

Wensha Xia, Haitao Ma, Wensheng Bian

J. Chem. Phys. 155, 204304 (2021)

https://doi.org/10.1063/5.0072013

Published: November 2021

View articletitled, Production of ultracold CaCCH and SrCCH molecules by direct laser cooling: A theoretical study based on accurate ab initio calculations

Journal Articles

Accurate quantum mechanical calculations on deuterated vinylidene isomerization

Jia Luo, Jianwei Cao, Hao Liu, Wensheng Bian

J. Chem. Phys. 153, 054309 (2020)

https://doi.org/10.1063/5.0015470

Published: August 2020

View articletitled, Accurate quantum mechanical calculations on deuterated vinylidene isomerization

Journal Articles

The dynamics of the C(¹D)+H₂/D₂/HD reactions at low temperature

Tomás González-Lezana, Pascal Larrégaray, Laurent Bonnet, Yanan Wu, Wensheng Bian

J. Chem. Phys. 148, 234305 (2018)

https://doi.org/10.1063/1.5026454

Published: June 2018

View articletitled, The dynamics of the C(1D)+H2/D2/HD reactions at low temperature

Journal Articles

Laser cooling of CaBr molecules and production of ultracold Br atoms: A theoretical study including spin–orbit coupling

Mingkai Fu, Haitao Ma, Jianwei Cao, Wensheng Bian

J. Chem. Phys. 146, 134309 (2017)

https://doi.org/10.1063/1.4979566

Published: April 2017

View articletitled, Laser cooling of CaBr molecules and production of ultracold Br atoms: A theoretical study including spin–orbit coupling

Includes: Supplementary data

Journal Articles

The hydrogen tunneling splitting in malonaldehyde: A full-dimensional time-independent quantum mechanical method

Feng Wu, Yinghui Ren, Wensheng Bian

J. Chem. Phys. 145, 074309 (2016)

https://doi.org/10.1063/1.4960789

Published: August 2016

View articletitled, The hydrogen tunneling splitting in malonaldehyde: A full-dimensional time-independent quantum mechanical method

Journal Articles

Extensive theoretical study on electronically excited states of calcium monochloride: Molecular laser cooling and production of ultracold chlorine atoms

Mingkai Fu, Haitao Ma, Jianwei Cao, Wensheng Bian

J. Chem. Phys. 144, 184302 (2016)

https://doi.org/10.1063/1.4948631

Published: May 2016

View articletitled, Extensive theoretical study on electronically excited states of calcium monochloride: Molecular laser cooling and production of ultracold chlorine atoms

Includes: Supplementary data

Journal Articles

Quantum mechanical differential and integral cross sections for the C(¹D) + H₂(ν = 0, j = 0) → CH(ν′, j′) + H reaction

Zhitao Shen, Jianwei Cao, Wensheng Bian

J. Chem. Phys. 142, 164309 (2015)

https://doi.org/10.1063/1.4919406

Published: April 2015

View articletitled, Quantum mechanical differential and integral cross sections for the C(1D) + H2(ν = 0, j = 0) → CH(ν′, j′) + H reaction

Includes: Supplementary data

Journal Articles

Global analytical ab initio ground-state potential energy surface for the C(¹D)+H₂ reactive system

Chunfang Zhang, Mingkai Fu, Zhitao Shen, Haitao Ma, Wensheng Bian

J. Chem. Phys. 140, 234301 (2014)

https://doi.org/10.1063/1.4881896

Published: June 2014

View articletitled, Global analytical ab initio ground-state potential energy surface for the C(1D)+H2 reactive system

Journal Articles

Quantum reaction dynamics of the C(¹D) + H₂(D₂) → CH(D) + H(D) on a new potential energy surface

Zhaopeng Sun (孙兆鹏), Chunfang Zhang (张春芳), Shiying Lin (林世鹰), Yujun Zheng (郑雨军), Qingtian Meng (孟庆田), Wensheng Bian (边文生)

J. Chem. Phys. 139, 014306 (2013)

https://doi.org/10.1063/1.4811844

Published: July 2013

View articletitled, Quantum reaction dynamics of the C(1D) + H2(D2) → CH(D) + H(D) on a new potential energy surface

Journal Articles

Quantum dynamics study of resonance states of vinylidene using normal mode Hamiltonian

Yinghui Ren, Bin Li, Wensheng Bian

AIP Conf. Proc. 1504, 921–924 (2012)

https://doi.org/10.1063/1.4771846

Published: December 2012

View articletitled, Quantum dynamics study of resonance states of vinylidene using normal mode Hamiltonian

Journal Articles

Electronically excited-state properties and predissociation mechanisms of phosphorus monofluoride: A theoretical study including spin–orbit coupling

Le Yu, Wensheng Bian

J. Chem. Phys. 137, 014313 (2012)

https://doi.org/10.1063/1.4731635

Published: July 2012

View articletitled, Electronically excited-state properties and predissociation mechanisms of phosphorus monofluoride: A theoretical study including spin–orbit coupling

Journal Articles

Accurate quantum mechanical study of the Renner-Teller effect in the singlet CH₂

Zhijun Zhang, Haitao Ma, Wensheng Bian

J. Chem. Phys. 135, 154303 (2011)

https://doi.org/10.1063/1.3651081

Published: October 2011

View articletitled, Accurate quantum mechanical study of the Renner-Teller effect in the singlet CH2

Journal Articles

Kinetic study on the H+SiH₄ abstraction reaction using an ab initio potential energy surface

Jianwei Cao, Zhijun Zhang, Chunfang Zhang, Wensheng Bian, Yin Guo

J. Chem. Phys. 134, 024315 (2011)

https://doi.org/10.1063/1.3521477

Published: January 2011

View articletitled, Kinetic study on the H+SiH4 abstraction reaction using an ab initio potential energy surface

Includes: Supplementary data

Journal Articles

Quasiclassical trajectory study of the Si H 4 + H → Si H 3 + H 2 reaction on a global ab initio potential energy surface

Manhui Wang, Xiaomin Sun, Wensheng Bian

J. Chem. Phys. 129, 084309 (2008)

https://doi.org/10.1063/1.2973626

Published: August 2008

View articletitled, Quasiclassical trajectory study of the Si H 4 + H → Si H 3 + H 2 reaction on a global ab initio potential energy surface

Journal Articles

Efficient quantum calculations of vibrational states of vinylidene in full dimensionality: A scheme with combination of methods

Bin Li, Wensheng Bian

J. Chem. Phys. 129, 024111 (2008)

https://doi.org/10.1063/1.2953706

Published: July 2008

View articletitled, Efficient quantum calculations of vibrational states of vinylidene in full dimensionality: A scheme with combination of methods

Journal Articles

Potential energy surface intersections in the C ( D 1 ) H 2 reactive system

Xiaojun Liu, Wensheng Bian, Xian Zhao, Xutang Tao

J. Chem. Phys. 125, 074306 (2006)

https://doi.org/10.1063/1.2263769

Published: August 2006

View articletitled, Potential energy surface intersections in the C ( D 1 ) H 2 reactive system

Journal Articles

A global 12-dimensional ab initio potential energy surface and dynamical studies for the Si H 4 + H → Si H 3 + H 2 reaction

Manhui Wang, Xiaomin Sun, Wensheng Bian, Zhengting Cai

J. Chem. Phys. 124, 234311 (2006)

https://doi.org/10.1063/1.2203610

Published: June 2006

View articletitled, A global 12-dimensional ab initio potential energy surface and dynamical studies for the Si H 4 + H → Si H 3 + H 2 reaction

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Quantum dynamics calculations on isotope effects of hydrogen transfer isomerization in formic acid dimer

Accurate quantum dynamics of the simplest isomerization system involving double-H transfer

Ring polymer molecular dynamics of the C(¹D)+H₂ reaction on the most recent potential energy surfaces

Production of ultracold CaCCH and SrCCH molecules by direct laser cooling: A theoretical study based on accurate ab initio calculations

Accurate quantum mechanical calculations on deuterated vinylidene isomerization

The dynamics of the C(¹D)+H₂/D₂/HD reactions at low temperature

Laser cooling of CaBr molecules and production of ultracold Br atoms: A theoretical study including spin–orbit coupling

The hydrogen tunneling splitting in malonaldehyde: A full-dimensional time-independent quantum mechanical method

Extensive theoretical study on electronically excited states of calcium monochloride: Molecular laser cooling and production of ultracold chlorine atoms

Quantum mechanical differential and integral cross sections for the C(¹D) + H₂(ν = 0, j = 0) → CH(ν′, j′) + H reaction

Global analytical ab initio ground-state potential energy surface for the C(¹D)+H₂ reactive system

Quantum reaction dynamics of the C(¹D) + H₂(D₂) → CH(D) + H(D) on a new potential energy surface

Quantum dynamics study of resonance states of vinylidene using normal mode Hamiltonian

Electronically excited-state properties and predissociation mechanisms of phosphorus monofluoride: A theoretical study including spin–orbit coupling

Accurate quantum mechanical study of the Renner-Teller effect in the singlet CH₂

Kinetic study on the H+SiH₄ abstraction reaction using an ab initio potential energy surface

Quasiclassical trajectory study of the Si H 4 + H → Si H 3 + H 2 reaction on a global ab initio potential energy surface

Efficient quantum calculations of vibrational states of vinylidene in full dimensionality: A scheme with combination of methods

Potential energy surface intersections in the C ( D 1 ) H 2 reactive system

A global 12-dimensional ab initio potential energy surface and dynamical studies for the Si H 4 + H → Si H 3 + H 2 reaction

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