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浏览/检索结果: 共6条，第1-6条 帮助 已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择作者升序作者降序题名升序题名降序发表日期升序发表日期降序提交时间升序提交时间降序 Phase behaviors of ionic liquids attributed to the dual ionic and organic nature 期刊论文 COMMUNICATIONS IN THEORETICAL PHYSICS, 2022, 卷号: 74, 期号: 9, 页码: 97601 作者:  Tang, Chenyu;  Wang, Yanting 收藏  |  浏览/下载：8/0  |  提交时间：2023/01/16 MOLECULAR-DYNAMICS SIMULATION  COARSE-GRAINED MODELS  AB-INITIO DATA  FORCE-FIELD  NANOSTRUCTURAL ORGANIZATION  SPATIAL HETEROGENEITY  BENZENE MIXTURES  TAIL AGGREGATION  CAR-PARRINELLO  CONFINED WATER   CPMD Investigations of the Improved Energetic Performance for Lithium Amidoborane doped RDX 期刊论文 CHEMISTRYSELECT, 2019, 卷号: Vol.4 No.3, 页码: 997-1006 作者:  Wang, Kun;  Dai, Chao Hua;  Zhang, Tian Tian;  Liu, Dian Kai;  Zhang, Jian Guo 收藏  |  浏览/下载：14/0  |  提交时间：2019/04/24 Nitramine explosives  Hydrogen  storage materials  Car  Parrinello molecular dynamics  Composite explosives   CPMD Investigations of the Improved Energetic Performance for Lithium Amidoborane doped RDX 期刊论文 ChemistrySelect, 2019, 卷号: Vol.4 No.3, 页码: 997-1006 作者:  Jian Guo Zhang;  Pan Pan Wu;  Chao Hua Dai;  Dian Kai Liu;  Xue Bin Yu 收藏  |  浏览/下载：1/0  |  提交时间：2019/04/24 Nitramine  explosives⋅Hydrogen  storage  materials⋅Car  Parrinello  molecular  dynamics  ⋅Composite  explosives   How hydrogen-storage material affects the decomposition of nitramine explosive: CPMD investigations of LAB-doped CL20 期刊论文 INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2018, 卷号: Vol.43 No.43, 页码: 19825-19840 作者:  Wang, Kun;  Liu, Dian Kai;  Zhang, Jian Guo;  Yu, Xue Bin;  Cheng, Long Jiu 收藏  |  浏览/下载：9/0  |  提交时间：2019/04/24 Nitramine explosives  CL20  Car-parrinello molecular dynamics  Composite explosives   Analysis of Time Reversible Born-Oppenheimer Molecular Dynamics 其他 2014-01-01 Lin, Lin; Lu, Jianfeng; Shao, Sihong 收藏  |  浏览/下载：3/0  |  提交时间：2015/11/16 ab initio molecular dynamics  self-consistent field iteration  time reversibility  stability  DENSITY-FUNCTIONAL THEORY  CAR-PARRINELLO METHOD  DIELECTRIC-CONSTANT  SIMULATIONS  ITERATION  CONVERGENCE  INTEGRATION  EQUATIONS  SYSTEMS   Diffusion and condensation of lithium atoms in single-walled carbon nanotubes 期刊论文 Physical review, B. Condensed matter and materials physics, 2005, 期号: 16, 页码: 165413.1-165413.6 作者:  Mingwen Zhao;  Yueyuan Xia;  Liangmo Mei 收藏  |  浏览/下载：4/0  |  提交时间：2020/01/03 fullerenes and fullerene-related materials  density functional theory  local density approximation  gradient and other corrections  molecular dynamics calculations (car-parrinello) and other numerical simulations  fullerenes and related materials