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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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Observation of the geometric phase effect in the H plus HD -> H-2 + D reaction 期刊论文
SCIENCE, 2018, 卷号: 362, 期号: 6420, 页码: 1289-+
Authors:  Yuan, Daofu;  Guan, Yafu;  Chen, Wentao;  Zhao, Hailin;  Yu, Shengrui;  Luo, Chang;  Tan, Yuxin;  Xie, Ting;  Wang, Xingan;  Sun, Zhigang;  Zhang, Dong H.;  Yang, Xueming
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Efficient and stable emission of warm-white light from lead-free halide double perovskites 期刊论文
NATURE, 2018, 卷号: 563, 期号: 7732, 页码: 541-+
Authors:  Luo, Jiajun;  Wang, Xiaoming;  Li, Shunran;  Liu, Jing;  Guo, Yueming;  Niu, Guangda;  Yao, Li;  Fu, Yuhao;  Gao, Liang;  Dong, Qingshun;  Zhao, Chunyi;  Leng, Meiying;  Ma, Fusheng;  Liang, Wenxi;  Wang, Liduo;  Jin, Shengye;  Han, Junbo;  Zhang, Lijun;  Etheridge, Joanne;  Wang, Jianbo;  Yan, Yanfa;  Sargent, Edward H.;  Tang, Jiang
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Rate coefficients of the H + H2O2 -> H-2 + HO2 reaction on an accurate fundamental invariant-neural network potential energy surface 期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 149, 期号: 17, 页码: 7
Authors:  Lu, Xiaoxiao;  Meng, Qingyong;  Wang, Xingan;  Fu, Bina;  Zhang, Dong H.
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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
JOURNAL OF CHEMICAL PHYSICS, 2018, 卷号: 149, 期号: 17, 页码: 8
Authors:  Liu, Tianhui;  Fu, Bina;  Zhang, Dong H.
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An accurate full-dimensional potential energy surface and quasiclassical trajectory dynamics of the H + H2O2 two-channel reaction 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 35, 页码: 23095-23105
Authors:  Lu, Xiaoxiao;  Shao, Kejie;  Fu, Bina;  Wang, Xingan;  Zhang, Dong H.
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