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Kinetics of the reaction of the simplest Criegee intermediate with ammonia: a combination of experiment and theory 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2018, 卷号: 20, 期号: 47, 页码: 29669-29676
Authors:  Liu, Yiqiang;  Yin, Cangtao;  Smith, Mica C.;  Liu, Siyue;  Chen, Maodu;  Zhou, Xiaohu;  Xiao, Chunlei;  Dai, Dongxu;  Lin, Jim Jr-Min;  Takahashi, Kaito;  Dong, Wenrui;  Yang, Xueming
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A global potential energy surface for the H2 + OH ↔ H2O + H reaction using neural networks 期刊论文
Journal of Chemical Physics, 2013, 卷号: 138, 页码: 1543011
Authors:  Chen J(陈俊);  Xu X(徐昕);  Zhang DH(张东辉)
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Mode specificity in the H + H2O → H2 + OH reaction: A full-dimensional quantum dynamics study 期刊论文
Journal of Chemical Physics, 2013, 卷号: 138, 期号: 18, 页码: 184308
Authors:  Fu BN(傅碧娜);  Zhang DH(张东辉)
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Exact quantum scattering study of the H + HS reaction on a new ab initio potential energy surface H2S(3A) 期刊论文
Journal of Chemical Physics, 2012, 卷号: 136, 页码: 943081
Authors:  Lv SJ(吕双江);  Zhang PY(张佩宇);  Han KL(韩克利);  He GZ(何国钟)
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Exact Quantum-Scattering Study of the D(2𝑆)+DS(2Π) Reaction * 期刊论文
Chinese Physics Letters(中国期刊), 2012, 卷号: 29, 期号: 7, 页码: 734011
Authors:  Lv SJ(吕双江);  Zhang PY(张佩宇);  He GZ(何国钟)
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Time-dependent Wave Packet Quantum Scattering Study of Reaction S(3P)+H2-HS+H on a New ab initio Potential Energy Surface 3A 期刊论文
Chinese Journal of Chemical Physics(中国期刊), 2012, 卷号: 25, 期号: 3, 页码: 291
Authors:  Lv SJ(吕双江);  Zhang PY(张佩宇);  He GZ(何国钟)
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Reaction of CH2O with O-2 期刊论文
CHINESE JOURNAL OF CHEMICAL PHYSICS, 2007, 卷号: 20, 期号: 4, 页码: 383-387
Authors:  Ma, Hai-Tao;  Shi, Cong-Yun;  Bian, Wen-Sheng;  Su, Hong-Mei;  Kong, Fan-Ao
Favorite  |  View/Download:17/0  |  Submit date:2015/11/11
Ftir Emission Spectroscopy  Vibrationally Excited Product  Qcisd  
The mechanism and kinetics of the HCO+HONO -> HCHO+NO2 reaction - A DFT study 期刊论文
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 2007, 卷号: 85, 期号: 7-8, 页码: 453-460
Authors:  Sun, Xiaomin;  Cai, Zhengting;  Feng, Dachang;  Bian, Wenshang;  Qiao, Oinglan;  Wang, Wenxing
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Density Function Theory  Reaction Mechanism  Variational Transition-state Theory  Rate Constant  
密度泛函方法对有机反应和有机催化反应体系的理论研究 学位论文
: 中国科学院研究生院, 2006
Authors:  王红明
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不对称催化  B3lyp  C-h键的活化  密度泛函理论  Diels-alder反应  
密度泛函方法对有机反应和有机催化反应体系的理论研究 学位论文
: 中国科学院研究生院, 2006
Authors:  王红明
Adobe PDF(2489Kb)  |  Favorite  |  View/Download:388/171  |  Submit date:2011/07/11
不对称催化  B3lyp  C-h键的活化  密度泛函理论  Diels-alder反应