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浏览/检索结果: 共15条，第1-10条 帮助 限定条件 发表日期：2019     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 Structural Mechanism of Barriers to Interspecies Seeding Transmissibility of Full-Length Prion Protein Amyloid 期刊论文 CHEMBIOCHEM, 2019, 卷号: 20, 期号: 21, 页码: 2757-2766 作者:  Ma, Tao;  Deng, Jing;  Ma, Shaojie;  Zhao, Weijing;  Chang, Ziwei 收藏  |  浏览/下载：35/0  |  提交时间：2020/07/01 amyloid fibrils  molecular dynamics  NMR spectroscopy  prions  seeding  species barriers   Underestimated Noncovalent Interactions in Protein Data Bank 期刊论文 JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2019, 卷号: 59, 期号: 8, 页码: 3389-3399 作者:  Xu, Zhijian;  Zhang, Qian;  Shi, Jiye;  Zhu, Weiliang 收藏  |  浏览/下载：6/0  |  提交时间：2020/07/01 Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: A theoretical investigation 期刊论文 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2019, 卷号: 210, 页码: 159-164 作者:  Song, Xiaoyan;  Zhang, Tianjie;  Zhang, Qiaoli;  Yang, Dapeng;  Yang, Guang 收藏  |  浏览/下载：52/0  |  提交时间：2019/06/20 Dual intramolecular hydrogen bonds  Steady state spectra  Infrared vibrational spectra  Frontier molecular orbital  Charge density difference  Potential energy surface   Excited state hydrogen bond and proton transfer mechanism for (2-hydroxy-4-methoxyphenyl)(phenyl)-methanone azine: a theoretical investigation 期刊论文 Spectrochimica acta part a-molecular and biomolecular spectroscopy, 2019, 卷号: 210, 页码: 159-164 作者:  Yang, Dapeng;  Yang, Guang;  Jia, Min;  Song, Xiaoyan;  Zhang, Qiaoli 收藏  |  浏览/下载：67/0  |  提交时间：2019/05/08 Dual intramolecular hydrogen bonds  Steady state spectra  Infrared vibrational spectra  Frontier molecular orbital  Charge density difference  Potential energy surface   Theoretical study on the effect of an O vacancy on the hydrogen storage properties of the LaFeO3 (010) surface 期刊论文 INTERNATIONAL JOURNAL OF HYDROGEN ENERGY, 2019, 卷号: 44, 期号: 11, 页码: 5374-5381 作者:  Chen, Yuhong;  Fan, Jiajia;  Liu, Tingting;  Wang, Jing;  Zhang, Meiling 收藏  |  浏览/下载：13/0  |  提交时间：2019/11/15 First principles  O vacancy  LaFeO3  Adsorption   Theoretical Elucidation of beta-O-4 Bond Cleavage of Lignin Model Compound Promoted by Sulfonic Acid-Functionalized Ionic Liquid 期刊论文 FRONTIERS IN CHEMISTRY, 2019, 卷号: 7, 页码: 11 作者:  Zhang, Yaqin;  Huo, Feng;  Wang, Yanlei;  Xia, Yu;  Tan, Xin 收藏  |  浏览/下载：46/0  |  提交时间：2019/04/03 lignin  ionic liquid  DFT  molecular dynamics  beta-O-4 bond  reaction mechanism   Different types of hydrogen-bonded complexes would accelerate or delay the excited state proton transfer in 3-hydroxyflavone 期刊论文 JOURNAL OF LUMINESCENCE, 2019, 卷号: 206, 页码: 46-52 作者:  Yang, Songqiu;  Zhang, Yan;  Han, Keli 收藏  |  浏览/下载：40/0  |  提交时间：2019/06/20 Excited state proton transfer  Hydrogen-bonded complex  Time-resolved spectroscopy  Cam-b3lyp  Dual emission   The excited state hydrogen bond and proton transfer mechanism of a novel dye CS-Azine 期刊论文 JOURNAL OF PHYSICAL ORGANIC CHEMISTRY, 2019, 卷号: 32, 期号: 2, 页码: 8 作者:  Zhang, Qiaoli;  Yang, Dapeng;  Jia, Min;  Yang, Guang;  Song, Xiaoyan 收藏  |  浏览/下载：22/0  |  提交时间：2019/06/20 charge redistribution  intramolecular hydrogen bond  potential energy curves   Different types of hydrogen-bonded complexes would accelerate or delay the excited state proton transfer in 3-hydroxyflavone 期刊论文 Journal of luminescence, 2019, 卷号: 206, 页码: 46-52 作者:  Yang, Songqiu;  Zhang, Yan;  Han, Keli 收藏  |  浏览/下载：48/0  |  提交时间：2019/05/08 Excited state proton transfer  Hydrogen-bonded complex  Time-resolved spectroscopy  Cam-b3lyp  Dual emission   The excited state hydrogen bond and proton transfer mechanism of a novel dye cs-azine 期刊论文 Journal of physical organic chemistry, 2019, 卷号: 32, 期号: 2, 页码: 8 作者:  Jia, Min;  Yang, Guang;  Song, Xiaoyan;  Zhang, Qiaoli;  Yang, Dapeng 收藏  |  浏览/下载：27/0  |  提交时间：2019/05/08 Charge redistribution  Intramolecular hydrogen bond  Potential energy curves