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浏览/检索结果: 共7条，第1-7条 帮助 限定条件 学科主题：Physics, Atomic, Molecular & Chemical     已选(0)清除 条数/页：5101520253035404550556065707580859095100   排序方式：请选择发表日期升序发表日期降序提交时间升序提交时间降序题名升序题名降序作者升序作者降序 Modeling Dynamic Conformations of Organic Molecules: Alkyne Carotenoids in Solution 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 14, 页码: 2792-2801 作者:  Streckaite, Simona;  Macernis, Mindaugas;  Li, Fei;  Trskova, Eliska Kuthanova;  Litvin, Radek 收藏  |  浏览/下载：19/0  |  提交时间：2022/03/01 First-principles study of the atomic and electronic properties of (100) stacking faults in BaSnO3 crystal 期刊论文 CHEMICAL PHYSICS LETTERS, 2018, 卷号: 694, 页码: 65-69 作者:  Xue, YB;  Wang, WY;  Guo, Y;  Guo, Y (reprint author), Anyang Inst Technol, Dept Chem & Environm Engn, Anyang 455000, Peoples R China. 收藏  |  浏览/下载：40/0  |  提交时间：2018/06/05 Total-energy Calculations  Augmented-wave Method  Doped Basno3  Ab-initio  Barium Stannate  1st Principles  Thin-films  Basis-set  Perovskite  Ceramics   Dispersive adsorption of Xylopia aethiopica constituents on carbon steel in acid-chloride medium: A combined experimental and theoretical approach 期刊论文 JOURNAL OF MOLECULAR LIQUIDS, 2018, 卷号: 249, 页码: 371-388 作者:  Njoku, DI;  Li, Y;  Lgaz, H;  Oguzie, EE;  Li, Y (reprint author), Chinese Acad Sci, Inst Met Res, Lab Corros & Protect, 62 Wencui Rd, Shenyang 110016, Liaoning, Peoples R China. 收藏  |  浏览/下载：17/0  |  提交时间：2018/06/05 Materials Protection Corrosion  Kola-nitida Extract  m Hcl Medium  Mild-steel  Hydrochloric-acid  Sulfuric-acid  Natural-products  Inhibition Performance  Electronic-structure  H2so4 Solutions   Carbon vacancies in Ti2CT2 MXenes: defects or a new opportunity? 期刊论文 ROYAL SOC CHEMISTRY, 2017, 卷号: 19, 期号: 47, 页码: 31773-31780 作者:  Hu, Tao;  Yang, Jinxing;  Wang, Xiaohui;  Wang, XH (reprint author), Chinese Acad Sci, Shenyang Natl Lab Mat Sci, Inst Met Res, Shenyang 110016, Liaoning, Peoples R China. 收藏  |  浏览/下载：74/0  |  提交时间：2018/01/10 Characterization, electrochemical and theoretical study of the anticorrosion properties of Moringa oleifera extract 期刊论文 JOURNAL OF MOLECULAR LIQUIDS, 2017, 卷号: 237, 页码: 247-256 Njoku, Demian I.; Oguzie, Emeka E.; Li, Ying 收藏  |  浏览/下载：18/0  |  提交时间：2017/08/17 Carbon steel  NaCl/H2SO4  GC-MS  FTIR  Adsorption  Molecular dynamics   The synergy effect and reaction pathway in the oxygen reduction reaction on the sulfur and nitrogen dual doped graphene catalyst 期刊论文 CHEMICAL PHYSICS LETTERS, 2017, 卷号: 677, 页码: 65-69 Song, Jian; Liu, TianFu; Ali, Sajjad; Li, Bo; Su, DangSheng 收藏  |  浏览/下载：21/0  |  提交时间：2017/08/17 ORR  Doping  Spin density   GW100: A Plane Wave Perspective for Small Molecules 期刊论文 JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 卷号: 13, 期号: 2, 页码: 635-648 Maggio, Emanuele; Liu, Peitao; van Setten, Michiel J.; Kresse, Georg 收藏  |  浏览/下载：20/0  |  提交时间：2017/08/17