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浏览/检索结果: 共264条，第1-10条 帮助 限定条件 发表日期：2022     条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序发表日期升序发表日期降序题名升序题名降序作者升序作者降序 Occurrence characteristics and influential factors of movable oil in nano-pores by molecular dynamics simulation 期刊论文  OAI收割 COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, 2022, 卷号: 655, 页码: 10 作者:  Luo,Yongcheng;  Xiao,Hanmin;  Liu,Xiangui;  Zheng TY(郑太毅)   |  收藏  |  浏览/下载：34/0  |  提交时间：2022/11/21 Adsorption  Potential energy  Self -diffusion coefficient  Molecular dynamics   Mechanisms of the improved stiffness of flexible polymers under impact loading 期刊论文  OAI收割 NANOTECHNOLOGY REVIEWS, 2022, 卷号: 11, 期号: 1, 页码: 3281-3291 作者:  Chen,Fengxiao;  Fan,Jitang;  Hui,David;  Wang C(王超);  Yuan FP(袁福平)   |  收藏  |  浏览/下载：17/0  |  提交时间：2023/02/03 soft segment  flexible polymer  stiffness  strain rate  molecular dynamics   Radiation damage accumulation mechanisms at iron grain boundaries revealed by coupled atomic and coarse-grained simulations via the parameter-passing and structural feedback 期刊论文  OAI收割 JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 572 作者:  Li, Xiangyan;  Li, Xiaolin;  Zhang, Yange;  Xu, Yichun;  Wu, Xuebang   |  收藏  |  浏览/下载：36/0  |  提交时间：2022/12/23 Grain boundary  Multiscale simulation  Structural relaxation  Defects clusters   An emb e dde d-atom method potential for studying the properties of Fe-Pb solid-liquid interface 期刊论文  OAI收割 JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 572 作者:  Lei, Yawei;  Zhang, Jingdan;  Zhang, Yange;  Li, Xiangyan;  Xu, Yichun   |  收藏  |  浏览/下载：27/0  |  提交时间：2022/12/23 Fe-Pb system  Force -matching method  EAM potential  Corrosion  Liquid properties   Molecular dynamics simulation and modelling on the dust-wall interactions in tokamak 期刊论文  OAI收割 JOURNAL OF NUCLEAR MATERIALS, 2022, 卷号: 572 作者:  Niu, Guo-Jian;  Xu, Qian;  Yang, Zhong-Shi;  He, Tao;  Nian, Fei-Fei   |  收藏  |  浏览/下载：35/0  |  提交时间：2022/12/23 Molecular dynamics  Wall  Plasma -facing material  Dust  Material damage   Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method 期刊论文  OAI收割 ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14 作者:  He YY(何雨旸);  Gao,Caihong;  Wei,Wei;  Liu,Yun   |  收藏  |  浏览/下载：18/0  |  提交时间：2023/02/03 paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition   Density Functional Theory Calculations of Equilibrium Mo Isotope Fractionation Factors among MoOxS4-x2- Species in the Aqueous Phase by the ONIOM Method 期刊论文  OAI收割 ACS EARTH AND SPACE CHEMISTRY, 2022, 页码: 14 作者:  He, Yuyang;  Gao, Caihong;  Wei, Wei;  Liu, Yun   |  收藏  |  浏览/下载：18/0  |  提交时间：2023/03/31 paleoredox proxy  ab initio molecular dynamics  implicit solvent model  dispersion correction  water-droplet  periodical boundary condition   Perspectives of Machine Learning Development on Kerogen Molecular Model Reconstruction and Shale Oil/Gas Exploitation 期刊论文  OAI收割 ENERGY & FUELS, 2022, 页码: 20 作者:  Kang DL(康东亮);  Ma J(马骏);  Zhao YP(赵亚溥)   |  收藏  |  浏览/下载：12/0  |  提交时间：2023/02/03 Molecular recognition of two endogenous hormones by the human parathyroid hormone receptor-1 期刊论文  OAI收割 ACTA PHARMACOLOGICA SINICA, 2022, 页码: 11 作者:  Zhao, Li-hua;  Yuan, Qing-ning;  Dai, An-tao;  He, Xin-heng;  Chen, Chuan-wei   |  收藏  |  浏览/下载：22/0  |  提交时间：2023/04/10 G protein- coupled receptors  parathyroid hormone  PTH-related peptide  PTH receptor-1  cryo-electron microscopy structure  osteoporosis   A spectroscopic approach to identifying the out-of-plane conformations of Ni(II) meso-tetraphenylporphyrin in solution 期刊论文  OAI收割 JOURNAL OF MOLECULAR STRUCTURE, 2022, 卷号: 1269 作者:  Wang, Shenhao;  Huang, Qing   |  收藏  |  浏览/下载：27/0  |  提交时间：2022/12/23 NiTPP  Out-of-plane deformations  DFT  Molecular dynamics  Raman spectroscopy  1 H-NMR