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Other articles related with "potential energy surface"：
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13101 |
Yan-Nan Chen(陈艳南), Jian-Gang Xu(徐建刚), Jiang-Peng Fan(范江鹏), Shuang-Xiong Ma(马双雄), Tian Guo(郭甜), and Yun-Guang Zhang(张云光) |
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Ab initio potential energy surface and anharmonic vibration spectrum of NF3+ |
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Chin. Phys. B
2024 Vol.33 (1): 13101-13101
[Abstract]
(87)
[HTML 0 KB]
[PDF 1174 KB]
(22)
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113101 |
Yong Zhang(张勇), Xiugang Guo(郭秀刚), and Haigang Yang(杨海刚) |
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A new global potential energy surface of the ground state of SiH2+ (X2A1) system and dynamics calculations of the Si+ + H2 (v0 = 2, j0 = 0) → SiH+ + H reaction |
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Chin. Phys. B
2022 Vol.31 (11): 113101-113101
[Abstract]
(326)
[HTML 0 KB]
[PDF 790 KB]
(48)
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50706 |
Wanrun Jiang(姜万润), Yuzhi Zhang(张与之), Linfeng Zhang(张林峰), and Han Wang(王涵) |
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Accurate Deep Potential model for the Al-Cu-Mg alloy in the full concentration space |
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Chin. Phys. B
2021 Vol.30 (5): 50706-050706
[Abstract]
(790)
[HTML 1 KB]
[PDF 787 KB]
(390)
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73401 |
Ya Peng(彭亚), Zhong-An Jiang(蒋仲安), Ju-Shi Chen(陈举师) |
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Surface for methane combustion: O(3P)+CH4→OH+CH3 |
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Chin. Phys. B
2020 Vol.29 (7): 73401-073401
[Abstract]
(448)
[HTML 0 KB]
[PDF 1570 KB]
(91)
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106105 |
Qunchao Tong(童群超), Jian Lv(吕健), Pengyue Gao(高朋越), Yanchao Wang(王彦超) |
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The CALYPSO methodology for structure prediction |
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Chin. Phys. B
2019 Vol.28 (10): 106105-106105
[Abstract]
(904)
[HTML 1 KB]
[PDF 1866 KB]
(433)
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103105 |
Yu-Sheng Wang(王玉生), Min Jia(贾敏), Qiao-Li Zhang(张巧丽), Xiao-Yan Song(宋晓燕), Da-Peng Yang(杨大鹏) |
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Ab initio investigation of excited state dual hydrogen bonding interactions and proton transfer mechanism for novel oxazoline compound |
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Chin. Phys. B
2019 Vol.28 (10): 103105-103105
[Abstract]
(651)
[HTML 1 KB]
[PDF 1632 KB]
(139)
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33401 |
Yuefeng Gu(顾跃凤), Yunxia Huang(黄云霞), Chuanliang Li(李传亮), Xiaohua Yang(杨晓华) |
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Collision of cold CaF molecules: Towards evaporative cooling |
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Chin. Phys. B
2019 Vol.28 (3): 33401-033401
[Abstract]
(1061)
[HTML 1 KB]
[PDF 1285 KB]
(441)
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83402 |
Wei Wang(王伟), Yong-Jiang Yu(于永江), Gang Zhao(赵刚), Chuan-Lu Yang(杨传路) |
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Effects of collision energy and rotational quantum number on stereodynamics of the reactions: H(2S)+NH(v=0, j=0, 2, 5, 10)→N(4S)+H2 |
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Chin. Phys. B
2016 Vol.25 (8): 83402-083402
[Abstract]
(600)
[HTML 1 KB]
[PDF 2051 KB]
(473)
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53101 |
Lu-Lu Zhang(张路路), Yu-Zhi Song(宋玉志), Shou-Bao Gao(高守宝), Yuan Zhang(张媛), Qing-Tian Meng(孟庆田) |
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Accurate double many-body expansion potential energy surface of HS2(A2A') by scaling the external correlation |
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Chin. Phys. B
2016 Vol.25 (5): 53101-053101
[Abstract]
(664)
[HTML 1 KB]
[PDF 531 KB]
(324)
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98201 |
Mi Hong (米鸿), Wei Shi-Hao (韦世豪), Duan Xiang-Mei (段香梅), Pan Xiao-Yin (潘孝胤) |
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Catalytic reduction of N2O by CO over PtlAum- clusters:A first-principles study |
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Chin. Phys. B
2015 Vol.24 (9): 98201-098201
[Abstract]
(755)
[HTML 1 KB]
[PDF 613 KB]
(346)
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63101 |
Song Yu-Zhi (宋玉志), Zhang Yuan (张媛), Zhang Lu-Lu (张路路), Gao Shou-Bao (高守宝), Meng Qing-Tian (孟庆田) |
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Globally accurate ab initio based potential energy surface of H2O+(X4A") |
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Chin. Phys. B
2015 Vol.24 (6): 63101-063101
[Abstract]
(822)
[HTML 1 KB]
[PDF 819 KB]
(336)
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53401 |
Chi Xiao-Lin (迟晓琳), Zhao Jin-Feng (赵金峰), Zhang Yong-Jia (张永嘉), Ma Feng-Cai (马凤才), Li Yong-Qing (李永庆) |
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Stereodynamics of the reactions: F+H2/HD/HT→FH+H/D/T |
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Chin. Phys. B
2015 Vol.24 (5): 53401-053401
[Abstract]
(671)
[HTML 1 KB]
[PDF 361 KB]
(543)
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123401 |
Li Yong-Qing (李永庆), Zhao Jin-Feng (赵金峰), Zhang Yong-Jia (张永嘉), Chi Xiao-Lin (迟晓琳), Ding Yong (丁勇), Ma Feng-Cai (马凤才) |
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Theoretical study of stereodynamics for the N+H2/D2/T2 reactions |
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Chin. Phys. B
2014 Vol.23 (12): 123401-123401
[Abstract]
(583)
[HTML 1 KB]
[PDF 1357 KB]
(497)
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68202 |
Cheng Da-Hai (程大海), Yuan Jiu-Chuang (袁久闯), Yang Tian-Gang (杨天罡), Chen Mao-Du (陈茂笃) |
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Stereodynamics study of the exchange reaction O(3P) + CH4→H + OCH3 |
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Chin. Phys. B
2013 Vol.22 (6): 68202-068202
[Abstract]
(587)
[HTML 1 KB]
[PDF 446 KB]
(367)
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63102 |
Yang Chuan-Lu (杨传路), Wang Mei-Shan (王美山), Liu Wen-Wang (刘文旺), Zhang Zhi-Hong (张志红), Ma Xiao-Guang (马晓光) |
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A full-dimensional analytical potential energy surface for the F+CH4→HF+CH3 reaction |
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Chin. Phys. B
2013 Vol.22 (6): 63102-063102
[Abstract]
(505)
[HTML 1 KB]
[PDF 372 KB]
(484)
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123402 |
Jiang Yong-Chao (姜永超), Li Gui-Xia (李桂霞), Shi Xiao-Feng (史晓凤), Huang Shu-Lai (黄树来) |
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Quasiclassical calculation of the chemical reaction Ba+C3H7Br→BaBr+C3H7 |
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Chin. Phys. B
2012 Vol.21 (12): 123402-123402
[Abstract]
(1098)
[HTML 1 KB]
[PDF 123 KB]
(568)
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45101 |
Song Bo(宋渤), Wang Xiao-Po(王晓坡), Yang Fu-Xin(杨富鑫), and Liu Zhi-Gang(刘志刚) |
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Transport properties of a binary mixture of CO2–N2 from the pair potential energy functions based on a semi-empirical inversion method |
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Chin. Phys. B
2012 Vol.21 (4): 45101-045101
[Abstract]
(1157)
[HTML 1 KB]
[PDF 242 KB]
(1981)
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43402 |
Zhao Juan(赵娟) and Luo Yi(罗一) |
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Effect of reagent vibrational excitation and isotope substitution on the stereo-dynamics of the Ba + HF → BaF + H reaction |
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Chin. Phys. B
2011 Vol.20 (4): 43402-043402
[Abstract]
(1569)
[HTML 1 KB]
[PDF 659 KB]
(705)
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33107 |
Wang Zhong-Quan(王忠全), Zhang Chun-Zao(张春早), Yu Hai-Jun(余海军), Du Jian-Ming(杜建明), and Ma Jian-Guo(马建国) |
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An ab initio study of the Ne–CO complex |
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Chin. Phys. B
2011 Vol.20 (3): 33107-033107
[Abstract]
(1444)
[HTML 1 KB]
[PDF 309 KB]
(810)
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63401 |
Gong Ming-Yan(宫明艳), Hu Xiao-Long(胡小龙), Chen Xia(陈侠), Niu Mei(牛梅), and Feng Er-Yin(凤尔银) |
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Rovibrational quenching of BH in ultracold 3He collisions |
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Chin. Phys. B
2010 Vol.19 (6): 63401-063401
[Abstract]
(1456)
[HTML 1 KB]
[PDF 577 KB]
(708)
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2650 |
Shao Ju-Xiang(邵菊香), Zhu Zheng-He(朱正和), Huang Duo-Hui(黄多辉) Wang Jun(王君), Cheng Xin-Lu(程新路), and Yang Xiang-Dong(杨向东) |
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Potential energy surfaces of ozone in the ground state |
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Chin. Phys. B
2007 Vol.16 (9): 2650-2655
[Abstract]
(1380)
[HTML 1 KB]
[PDF 324 KB]
(596)
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3345 |
Yu Chun-Ri(余春日), Shi Shou-Hua(史守华), Wang Rong-Kai(汪荣凯), and Yang Xiang-Dong(杨向东) |
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The effect of the attractive well of the potential energy surface for Ne--HCl on rotationally inelastic partial wave cross sections |
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Chin. Phys. B
2007 Vol.16 (11): 3345-3351
[Abstract]
(1644)
[HTML 1 KB]
[PDF 459 KB]
(621)
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