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Two-state diabatic potential energy surfaces of ClH2 based on nonadiabatic couplings with neural networks 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 36, 页码: 20372-20383
Authors:  Yin, Zhengxi;  Guan, Yafu;  Fu, Bina;  Zhang, Dong H.
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Enhanced reactivity of fluorine with para-hydrogen in cold interstellar clouds by resonance-induced quantum tunnelling 期刊论文
NATURE CHEMISTRY, 2019, 卷号: 11, 期号: 8, 页码: 744-749
Authors:  Yang, Tiangang;  Huang, Long;  Xiao, Chunlei;  Chen, Jun;  Wang, Tao;  Dai, Dongxu;  Lique, Francois;  Alexander, Millard H.;  Sun, Zhigang;  Zhang, Dong H.;  Yang, Xueming;  Neumark, Daniel M.
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Representation of coupled adiabatic potential energy surfaces using neural network based quasi-diabatic Hamiltonians: 1,2 (2)A ' states of LiFH 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 卷号: 21, 期号: 26, 页码: 14205-14213
Authors:  Guan, Yafu;  Zhang, Dong H.;  Guo, Hua;  Yarkony, David R.
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Full dimensional quantum mechanical calculations of the reaction probability of the H + NH3 collision based on a mixed Jacobi and Radau description 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2019, 卷号: 150, 期号: 20, 页码: 9
Authors:  Zhang, Zhaojun;  Gatti, Fabien;  Zhang, Dong H.
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An ab initio-based global potential energy surface for the SH3 system and full-dimensional state-to-state quantum dynamics study for the H-2 + HS -> H2S + H reaction 期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2019, 卷号: 40, 期号: 10, 页码: 1151-1160
Authors:  Xu, Xin;  Chen, Jun;  Liu, Shu;  Zhang, Dong H.
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potential energy surface  differential cross sections  H-2 + SH  quantum dynamics  time-dependent wave packet  
Selective Hydrodeoxygenation of Guaiacol to Phenolics by Ni/Anatase TiO2 Catalyst Formed by Cross-Surface Migration of Ni and TiO2 期刊论文
ACS CATALYSIS, 2019, 卷号: 9, 期号: 4, 页码: 3551-3563
Authors:  Zhang, Xiaoqiang;  Yan, Peifang;  Zhao, Bin;  Liu, Kairui;  Kung, Mayfair C.;  Kung, Harold H.;  Chen, Shanyong;  Zhang, Z. Conrad
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guaiacol hydrodeoxygenation  phenol  SMSI or strong metal-support interaction  titania and nickel  lignin  
Charting a course for chemistry 期刊论文
NATURE CHEMISTRY, 2019, 卷号: 11, 期号: 4, 页码: 286-294
Authors:  Aspuru-Guzik, Alan;  Baik, Mu-Hyun;  Balasubramanian, Shankar;  Banerjee, Rahul;  Bart, Suzanne;  Borduas-Dedekind, Nadine;  Chang, Sukbok;  Chen, Peng;  Corminboeuf, Clemence;  Coudert, Francois-Xavier;  Cronin, Leroy;  Crudden, Cathleen;  Cuk, Tanja;  Doyle, Abigail G.;  Fan, Chunhai;  Feng, Xinliang;  Freedman, Danna;  Furukawa, Shuhei;  Ghosh, Suhrit;  Glorius, Frank;  Jeffries-EL, Malika;  Katsonis, Nathalie;  Li, Ang;  Linse, Sara Snogerup;  Marchesan, Silvia;  Maulide, Nuno;  Milo, Anat;  Narayan, Alison R. H.;  Naumov, Pance;  Nevado, Cristina;  Nyokong, Tebello;  Palacin, Rosa;  Reid, Marc;  Robinson, Carol;  Robinson, Gregory;  Sarpong, Richmond;  Schindler, Corinna;  Schlau-Cohen, Gabriela S.;  Schmidt, Timothy W.;  Sessoli, Roberta;  Shao-Horn, Yang;  Sleiman, Hanadi;  Sutherland, John;  Taylor, Annette;  Tezcan, Akif;  Tortosa, Mariola;  Walsh, Aron;  Watson, Allan J. B.;  Weckhuysen, Bert M.;  Weiss, Emily;  Wilson, Daniela;  Yam, Vivian W. -W.;  Yang, Xueming;  Ying, Jackie Y.;  Yoon, Tehshik;  You, Shu-Li;  Zarbin, Aldo J. G.;  Zhang, Hua
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Bayesian optimization for the inverse scattering problem in quantum reaction dynamics 期刊论文
New Journal of Physics, 2019, 卷号: 21, 期号: 2
Authors:  Vargas-Hernández,R A;  Guan,Y;  Zhang,D H;  Krems,R V
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bayesian optimization  gaussian processes  inverse scattering problem  
Room-temperature electrochemical water-gas shift reaction for high purity hydrogen production 期刊论文
NATURE COMMUNICATIONS, 2019, 卷号: 10, 页码: 8
Authors:  Cui, Xiaoju;  Su, Hai-Yan;  Chen, Ruixue;  Yu, Liang;  Dong, Jinchao;  Ma, Chao;  Wang, Suheng;  Li, Jianfeng;  Yang, Fan;  Xiao, Jianping;  Zhang, Mengtao;  Ma, Ding;  Deng, Dehui;  Zhang, Dong H.;  Tian, Zhongqun;  Bao, Xinhe
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东北地区分泌型和非分泌型母亲哺乳期hmo差异及其对子代肠道菌群的影响 期刊论文
中国微生态学杂志, 2019, 卷号: 000, 期号: 004, 页码: 380
Authors:  周娇锐;  白亚强;  刘曼;  郝思嘉;  李健新;  胡雨奇;  张利龙;  许尧;  袁杰力;  闫竞宇;  李文哲;  李明
Favorite  |  View/Download:1/0  |  Submit date:2019/12/02