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Water dissociating on rigid Ni(100): A quantum dynamics study on a full-dimensional potential energy surface

Journal Article published 14 Apr 2018 in The Journal of Chemical Physics volume 148 issue 14 on page 144705

Research funded by National Natural Science Foundation of China (21703242, 21433009, 21722307, 21673233)

Authors: Tianhui Liu, Jun Chen, Zhaojun Zhang, Xiangjian Shen, Bina Fu, Dong H. Zhang

Validity of the site-averaging approximation for modeling the dissociative chemisorption of H2 on Cu(111) surface: A quantum dynamics study on two potential energy surfaces

Journal Article published 21 Nov 2014 in The Journal of Chemical Physics volume 141 issue 19 on page 194302

Research funded by National Natural Science Foundation of China (90921014 and 21303197)

Authors: Tianhui Liu, Bina Fu, Dong H. Zhang

Six-dimensional potential energy surfaces of the dissociative chemisorption of HCl on Ag(111) with three density functionals

Journal Article published 7 Aug 2018 in The Journal of Chemical Physics volume 149 issue 5 on page 054702

Research funded by National Natural Science Foundation of China (21703242, 21722307, 21673233, 21433009 and 21688102)

Authors: Tianhui Liu, Bina Fu, Dong H. Zhang

Mode specificity of the dissociative chemisorption of HOD on rigid Cu(111): an approximate full-dimensional quantum dynamics study

Journal Article published 2016 in Physical Chemistry Chemical Physics volume 18 issue 38 on pages 26358 to 26364

Research funded by National Natural Science Foundation of China (91421315, 21433009, 21590804 and 21303197)

Authors: Tianhui Liu, Zhaojun Zhang, Jun Chen, Bina Fu, Dong H. Zhang

Mode specificity for the dissociative chemisorption of H2O on Cu(111): a quantum dynamics study on an accurately fitted potential energy surface

Journal Article published 2016 in Physical Chemistry Chemical Physics volume 18 issue 12 on pages 8537 to 8544

Research funded by National Natural Science Foundation of China (91421315, 21433009 and 21303197)

Authors: Tianhui Liu, Zhaojun Zhang, Bina Fu, Xueming Yang, Dong H. Zhang

An approximate full-dimensional quantum dynamics study of the mode specificity in the dissociative chemisorption of D2O on rigid Cu(111)

Journal Article published 2017 in Physical Chemistry Chemical Physics volume 19 issue 19 on pages 11960 to 11967

Research funded by National Natural Science Foundation of China (91421315, 21433009 and 21673233)

Authors: Tianhui Liu, Bina Fu, Dong H. Zhang

Full-dimensional quantum dynamics study of exchange processes for the D + H2O and D + HOD reactions

Journal Article published 21 May 2012 in The Journal of Chemical Physics volume 136 issue 19 on page 194301

Research funded by National Natural Science Foundation of China (20833007, 90921014)

Authors: Bina Fu, Dong H. Zhang

A full-dimensional quantum dynamics study of the mode specificity in the H + HOD abstraction reaction

Journal Article published 14 Feb 2015 in The Journal of Chemical Physics volume 142 issue 6 on page 064314

Research funded by National Natural Science Foundation of China (91221301 and 21303197)

Authors: Bina Fu, Dong H. Zhang

Trapped Abstraction in the O(1D) + CHD3 → OH + CD3 Reaction

Journal Article published 29 Aug 2014 in The Journal of Physical Chemistry Letters volume 5 issue 18 on pages 3106 to 3111

Research funded by National Natural Science Foundation of China

Authors: Jiayue Yang, Kejie Shao, Dong Zhang, Quan Shuai, Bina Fu, Dong H. Zhang, Xueming Yang

Recent advances in quantum scattering calculations on polyatomic bimolecular reactions

Journal Article published 2017 in Chemical Society Reviews volume 46 issue 24 on pages 7625 to 7649

Research funded by National Natural Science Foundation of China (21590804, 21433009, 21688102, 21673233, 21722307) | Chinese Academy of Sciences (XDB17000000) | Leverhulme Trust (RPG-2013-321)

Authors: Bina Fu, Xiao Shan, Dong H. Zhang, David C. Clary