机构

• 大连化学物理研究所 [6]
• 过程工程研究所 [3]
• 化学研究所 [2]
• 长春应用化学研究所 [2]
• 金属研究所 [1]

采集方式

• OAI收割 [14]

内容类型

• 期刊论文 [14]

发表日期

• 2022 [1]
• 2015 [1]
• 2014 [3]
• 2013 [2]
• 2011 [1]
• 2010 [1]
• 更多

学科主题

• Coal [1]
• 物理化学 [1]

筛选

浏览/检索结果: 共14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 Chemical structure effects on coal pyrolyzates and reactions by using large-scale reactive molecular dynamics 期刊论文  OAI收割 Fuel, 2022, 卷号: 327 作者:  Zheng, Mo;  Li, Xiaoxia;  Bai, Jin;  Guo, Li   |  收藏  |  浏览/下载：0/0  |  提交时间：2023/06/26 Cracking (chemical) - Indicators (chemical) - Mapping - Molecular dynamics - Reaction kinetics - Structure (composition) - Temperature - Thermogravimetric analysis   The validities of centrifugal sudden approximations in chemical reaction dynamics 期刊论文  OAI收割 international journal of quantum chemistry, 2015, 卷号: 115, 期号: 13, 页码: 803-816 作者:  Chu, Tianshu;  Liang, Dongyue;  Xu, Jinmei;  Dong, Shunle 收藏  |  浏览/下载：23/0  |  提交时间：2015/11/17 Coriolis-coupling effects  centrifugal sudden approximations  chemical reaction dynamics  time-dependent quantum wave packet  adiabaticity  nonadiabaticity   Reaction analysis and visualization of ReaxFF molecular dynamics simulations 期刊论文  OAI收割 JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2014, 卷号: 53, 期号: sep, 页码: 13-22 作者:  Liu, Jian;  Li, Xiaoxia;  Guo, Li;  Zheng, Mo;  Han, Junyi 收藏  |  浏览/下载：36/0  |  提交时间：2014/12/01 ReaxFF molecular dynamics  Large scale simulation  VARxMD  Chemical reaction analysis and visualization  Chemical reaction mechanisms  Cheminformatics  Chemical reaction parsing  Reaction pathway analysis  Chemical structure processing   Study of high density polyethylene (HDPE) pyrolysis with reactive molecular dynamics 期刊论文  OAI收割 POLYMER DEGRADATION AND STABILITY, 2014, 卷号: 104, 页码: 62-70 作者:  Liu, Xiaolong;  Li, Xiaoxia;  Liu, Jian;  Wang, Ze;  Kong, Bin   |  收藏  |  浏览/下载：35/0  |  提交时间：2019/04/09 Reaxff Md  Hdpe Pyrolysis  Chemical Reaction Mechanism  Reactive Molecular Dynamics  Varmd   Study of high density polyethylene (HDPE) pyrolysis with reactive molecular dynamics 期刊论文  OAI收割 POLYMER DEGRADATION AND STABILITY, 2014, 卷号: 104, 期号: 1, 页码: 62-70 作者:  Liu, Xiaolong;  Li, Xiaoxia;  Liu, Jian;  Wang, Ze;  Kong, Bin 收藏  |  浏览/下载：34/0  |  提交时间：2014/08/28 ReaxFF MD  HDPE pyrolysis  Chemical reaction mechanism  Reactive molecular dynamics  VARMD   Probing Quantum Dynamics of Elementary Chemical Reactions via Accurate Potential Energy Surfaces 期刊论文  OAI收割 zeitschrift fur physikalische chemie-international journal of research in physical chemistry & chemical physics, 2013, 卷号: 227, 期号: 9-11, 页码: 1247-1265 作者:  Yang, Xueming;  Zhang, Dong Hui 收藏  |  浏览/下载：27/0  |  提交时间：2014/09/11 Potential Energy Surface  Reaction Dynamics  Elementary Chemical Reaction  Transition State   Landscape Framework and Global Stability for Stochastic Reaction Diffusion and General Spatially Extended Systems with Intrinsic Fluctuations 期刊论文  OAI收割 journal of physical chemistry b, 2013, 卷号: 117, 期号: 42, 页码: 12908-12934 Wu W; Wang J 收藏  |  浏览/下载：34/0  |  提交时间：2014/04/15 POTENTIAL LANDSCAPE  CHEMICAL-REACTIONS  REACTION DYNAMICS  ENERGY LANDSCAPE  DISSIPATION COST  NETWORKS  ROBUSTNESS  MOLECULE  NOISE  DIFFERENTIATION   Adsorption of water molecule on (001) and (110) surfaces of MgH2 期刊论文  OAI收割 Surface Science, 2011, 卷号: 605, 期号: 13-14, 页码: 1224-1229 J. H. Dai; Y. Song; R. Yang 收藏  |  浏览/下载：18/0  |  提交时间：2012/04/13 Water  Chemisorption  Hydrides  Density functional theory  ab-initio  hydrogen generation  hydrolysis reaction  sodium-borohydride  chemical hydrides  dynamics  mixtures  rh(111)   Depression of reactivity by the collision energy in the single barrier H + CD4 -> HD + CD3 reaction 期刊论文  OAI收割 proceedings of the national academy of sciences of the united states of america, 2010, 卷号: 107, 期号: 29, 页码: 12782-12785 作者:  Zhang, Weiqing;  Zhou, Yong;  Wu, Guorong;  Lu, Yunpeng;  Pan, Huilin 收藏  |  浏览/下载：27/0  |  提交时间：2015/11/12 chemical reaction dynamics  cross section  potential energy surface  quantum scattering  crossed molecular beam equipment   Theoretical Chemistry and Its Application to Sustainable Development 期刊论文  OAI收割 PROGRESS IN CHEMISTRY, 2009, 卷号: 21, 期号: 11, 页码: 2259-2270 作者:  Shuai Zhigang   |  收藏  |  浏览/下载：17/0  |  提交时间：2019/04/09 Theoretical Chemistry  Chemical Reaction Quantum Dynamics  Statistical Dynamics  Interdisciplinary