机构

• 大连化学物理研究所 [46]

采集方式

• OAI收割 [44]
• iSwitch采集 [2]

内容类型

• 期刊论文 [46]

发表日期

• 2019 [4]
• 2018 [6]
• 2017 [4]
• 2016 [4]
• 2015 [4]
• 2014 [5]
• 更多

学科主题

• 物理化学 [4]

筛选

浏览/检索结果: 共46条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择题名升序题名降序提交时间升序提交时间降序作者升序作者降序发表日期升序发表日期降序 Two-state diabatic potential energy surfaces of ClH2 based on nonadiabatic couplings with neural networks 期刊论文  OAI收割 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 36, 页码: 20372-20383 作者:  Yin, Zhengxi;  Guan, Yafu;  Fu, Bina;  Zhang, Dong H.   |  收藏  |  浏览/下载：50/0  |  提交时间：2019/12/02 Direct diabatization and analytic representation of coupled potential energy surfaces and couplings for the reactive quenching of the excited (2)sigma(+) state of OH by molecular hydrogen 期刊论文  OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 10, 页码: 25 作者:  Shu, Yinan;  Kryven, Joanna;  Sampaio de Oliveira-Filho, Antonio Gustavo;  Zhang, Linyao;  Song, Guo-Liang   |  收藏  |  浏览/下载：72/0  |  提交时间：2019/12/02 Two-layer Gaussian-based MCTDH study of the S-1 <- S-0 vibronic absorption spectrum of formaldehyde using multiplicative neural network potentials 期刊论文  OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 151, 期号: 6, 页码: 13 作者:  Koch, Werner;  Bonfanti, Matteo;  Eisenbrandt, Pierre;  Nandi, Apurba;  Fu, Bina   |  收藏  |  浏览/下载：44/0  |  提交时间：2019/12/02 Theoretical Investigations of Rate Coefficients of H + H2O2 -> OH + H2O on a Full-Dimensional Potential Energy Surface 期刊论文  OAI收割 JOURNAL OF PHYSICAL CHEMISTRY A, 2019, 卷号: 123, 期号: 18, 页码: 3969-3976 作者:  Lu, Xiaoxiao;  Wang, Xingan;  Fu, Bina;  Zhang, Donghui   |  收藏  |  浏览/下载：46/0  |  提交时间：2019/06/25 Rate coefficients of the H + H2O2 -> H-2 + HO2 reaction on an accurate fundamental invariant-neural network potential energy surface 期刊论文  OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 149, 期号: 17, 页码: 7 作者:  Lu, Xiaoxiao;  Meng, Qingyong;  Wang, Xingan;  Fu, Bina;  Zhang, Dong H.   |  收藏  |  浏览/下载：19/0  |  提交时间：2019/06/20 Six-dimensional quantum dynamics for the dissociative chemisorption of HCl on rigid Ag(111) on three potential energy surfaces with different density functionals 期刊论文  OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 149, 期号: 17, 页码: 8 作者:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.   |  收藏  |  浏览/下载：33/0  |  提交时间：2019/06/20 Rate coefficients of the h + h2o2 -> h-2 + ho2 reaction on an accurate fundamental invariant-neural network potential energy surface 期刊论文  iSwitch采集 Journal of chemical physics, 2018, 卷号: 149, 期号: 17, 页码: 7 作者:  Lu, Xiaoxiao;  Meng, Qingyong;  Wang, Xingan;  Fu, Bina;  Zhang, Dong H. 收藏  |  浏览/下载：55/0  |  提交时间：2019/05/08 Six-dimensional quantum dynamics for the dissociative chemisorption of hcl on rigid ag(111) on three potential energy surfaces with different density functionals 期刊论文  iSwitch采集 Journal of chemical physics, 2018, 卷号: 149, 期号: 17, 页码: 8 作者:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H. 收藏  |  浏览/下载：42/0  |  提交时间：2019/05/08 An accurate full-dimensional potential energy surface and quasiclassical trajectory dynamics of the H + H2O2 two-channel reaction 期刊论文  OAI收割 PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 35, 页码: 23095-23105 作者:  Fu, Bina;  Zhang, Dong H.;  Lu, Xiaoxiao;  Shao, Kejie;  Wang, Xingan   |  收藏  |  浏览/下载：16/0  |  提交时间：2019/06/20 Water dissociating on rigid Ni(100): A quantum dynamics study on a full-dimensional potential energy surface 期刊论文  OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 148, 期号: 14 作者:  Zhang, Zhaojun;  Zhang, Dong H.;  Fu, Bina;  Liu, Tianhui;  Chen, Jun   |  收藏  |  浏览/下载：26/0  |  提交时间：2019/06/20