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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

Construction of diabatic energy surfaces for LiFH with artificial neural networks

Journal Article published 14 Dec 2017 in The Journal of Chemical Physics volume 147 issue 22 on page 224307

Research funded by National Natural Science Foundation of China (21433009, 21590800, 21688102)

Authors: Yafu Guan, Bina Fu, Dong H. Zhang

Ab Initio Potential Energy Surfaces and Quantum Dynamics for Polyatomic Bimolecular Reactions

Journal Article published 11 Apr 2018 in Journal of Chemical Theory and Computation

Research funded by Youth Innovation Promotion Association of the Chinese Academy of Sciences (2015143) | National Natural Science Foundation of China (21673233, 21688102, 21722307, 21433009, 21590804) | Chinese Academy of Sciences (XDB17000000)

Authors: Bina Fu, Dong H. Zhang

Six-dimensional quantum dynamics study for the dissociative adsorption of DCl on Au(111) surface

Journal Article published 14 Apr 2014 in The Journal of Chemical Physics volume 140 issue 14 on page 144701

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

Authors: Tianhui Liu, 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

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

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

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

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