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浏览/检索结果: 共209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 Atomistic insights into the influence of hydrogen on crack propagation in tungsten 期刊论文  OAI收割 FUSION ENGINEERING AND DESIGN, 2023, 卷号: 197, 页码: 11 作者:  Shi, Jun;  Li, Bingchen;  Li, Lei;  Liu, Yifan;  Fan, Xinyue   |  收藏  |  浏览/下载：34/0  |  提交时间：2023/12/11 Molecular dynamics simulation  Hydrogen  Crack propagation  Plasma-facing materials  Tungsten   The Primary Irradiation Damage of Hydrogen-Accumulated Nickel: An Atomistic Study 期刊论文  OAI收割 MATERIALS, 2023, 卷号: 16, 期号: 12, 页码: 4296 作者:  Yuan, Xiaoting;  Huang, Hai;  Zhong, Yinghui;  Cai, Bin;  Liu, Zhongxia   |  收藏  |  浏览/下载：79/0  |  提交时间：2023/07/17 nickel-based alloys  hydrogen embrittlement  displacement cascades  hydrogen clusters  molecular dynamics   Interfacial role of Ionic liquids in CO2 electrocatalytic Reduction: A mechanistic investigation 期刊论文  OAI收割 CHEMICAL ENGINEERING JOURNAL, 2023, 卷号: 457, 页码: 10 作者:  Guo, Shuai;  Liu, Yawei;  Wang, Yanlei;  Dong, Kun;  Zhang, Xiangping   |  收藏  |  浏览/下载：0/0  |  提交时间：2023/05/19 Ionic liquids  CO(2 )electrocatalytic reduction reaction  Density functional theory  Transition state  Hydrogen bond  Molecular dynamics simulations   Revisiting the structure, interaction, and dynamical property of ionic liquid from the deep learning force field 期刊论文  OAI收割 JOURNAL OF POWER SOURCES, 2023, 卷号: 555, 页码: 8 作者:  Ling, Yulong;  Li, Kun;  Wang, Mi;  Lu, Junfeng;  Wang, Chenlu   |  收藏  |  浏览/下载：29/0  |  提交时间：2023/02/24 Ionic liquids  Molecular dynamics simulations  Force field  Hydrogen bond  Machine learning   Molecular insight into the effect of ion structure and interface behavior on the ammonia absorption by ionic liquids 期刊论文  OAI收割 AICHE JOURNAL, 2022, 页码: 12 作者:  Zhao, Tongtong;  Zeng, Shaojuan;  Li, Yao;  Bai, Yinge;  Bai, Lu   |  收藏  |  浏览/下载：29/0  |  提交时间：2023/02/24 hydrogen bond  interface effect  ionic liquids  molecular dynamics simulation  NH3 capture   Mechanism and conformation changes for the whole regeneration process of cellulose in pyridinium-based ionic liquids 期刊论文  OAI收割 Cellulose, 2022, 卷号: 29, 期号: 10, 页码: 5479-5492 作者:  Li, Chengjie;  Fang, Timing;  Zhou, Guohui;  Ge, Mengmeng;  Li, Yao   |  收藏  |  浏览/下载：0/0  |  提交时间：2023/06/26 Molecular dynamics - Hydrogen bonds - Organic solvents - Acetone - Dissolution - Ionic liquids   Molecular dynamics simulation on the dynamic structure of icing interface 期刊论文  OAI收割 Huagong Xuebao/CIESC Journal, 2022, 卷号: 73, 期号: 3, 页码: 1315-1323 作者:  Wang, Rui;  Ren, Ying;  Chen, Wei;  Han, Yongsheng   |  收藏  |  浏览/下载：0/0  |  提交时间：2023/06/26 Interface states - Prisms - Crystal structure - Phase interfaces - Hydrogen bonds - Molecular dynamics - Molecules   Mechanism Investigation on DNA Damage Induced by Carcinogenic Haloquinoid Disinfection Byproducts 期刊论文  OAI收割 PROGRESS IN CHEMISTRY, 2022, 卷号: 34, 期号: 1, 页码: 227-236 作者:  Zhu, Benzhan;  Zhang, Jing;  Tang, Miao;  Huang, Chunhua;  Shao, Jie   |  收藏  |  浏览/下载：21/0  |  提交时间：2022/11/08 METAL-INDEPENDENT DECOMPOSITION  INTRINSIC CHEMILUMINESCENCE PRODUCTION  HALOGENATED QUINOID CARCINOGENS  MOLECULAR-MECHANISM  HYDROGEN-PEROXIDE  HYDROXYL RADICALS  METABOLITE TETRACHLOROHYDROQUINONE  5-METHYLCYTOSINE ATTACK  ORGANIC HYDROPEROXIDES  CHLORINATED PHENOLS   Contrasted Effect of Spinel and Pyroxene on Molecular Hydrogen (H-2) Production during Serpentinization of Olivine 期刊论文  OAI收割 MINERALS, 2021, 卷号: 11, 期号: 8, 页码: 15 作者:  Huang, Ruifang;  Ding, Xing;  Sun, Weidong;  Shang, Xiuqi   |  收藏  |  浏览/下载：24/0  |  提交时间：2021/11/30 molecular hydrogen  serpentinization  spinel  pyroxene minerals   Investigating the property and strength of intermolecular interaction in saturated and unsaturated cyclic cations constructed ionic liquids 期刊论文  OAI收割 Journal of Molecular Liquids, 2021, 卷号: 335 作者:  Zhang, Tao;  Ding, Wei-Lu;  Zhang, Yaqin;  Bi, Kailun;  Lu, Yumiao   |  收藏  |  浏览/下载：0/0  |  提交时间：2023/06/21 Density functional theory - Hydrogen bonds - Negative ions - Binding energy - Positive ions - Ionic strength - Molecular dynamics - Binding sites