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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 Computational study on the mechanism and kinetics of Cl-initiated oxidation of ethyl acrylate 期刊论文 STRUCTURAL CHEMISTRY, 2017, 卷号: 28, 期号: 6, 页码: 1831-1842 作者:  Zhang, Shiqing;  Sun, Jianfei;  Cao, Haijie;  Qiao, Qingan;  He, Maoxia 收藏  |  浏览/下载：6/0  |  提交时间：2019/12/12 Cl atoms  Ethyl acrylate  Mechanisms  Rate constant   Why Do Boron and Nitrogen Doped alpha- and gamma-Graphyne Exhibit Different Oxygen Reduction Mechanism? A First-Principles Study 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY C, 2015 Chen, Xin; Qiao, Qingan; An, Li; Xia, Dingguo 收藏  |  浏览/下载：7/0  |  提交时间：2017/12/03 METAL-FREE ELECTROCATALYSTS  GENERALIZED GRADIENT APPROXIMATION  CARBON NANOTUBES  FUEL-CELLS  GRAPHENE  ELECTROREDUCTION  CATALYST  O-2  DFT   The effect of ionization and deprotonation of guanine on the formation of base pairs 期刊论文 COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2012, 卷号: 980, 页码: 23-31 作者:  Sun, Lixiang;  Bu, Yuxiang;  Qiao, Qingan;  Liu, Quanwen;  Guo, Zhenliang 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/23 Ionization effect  Pairing energy  DNA mispair  Proton transfer   The effect of ionization and deprotonation of guanine on the formation of base pairs 期刊论文 Computational & theoretical chemistry, 2012, 页码: 23-31 作者:  Lixiang Sun;  Yuxiang Bu;  Qingan Qiao;  Quanwen Liu;  Zhenliang Guo 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/23 Ionization effect  Pairing energy  DNA mispair  Proton transfer   Investigation on the Scavenging Mechanism of 1,4-Dicarbonyls by Pyridoxamine: A Density Functional Theory Study 期刊论文 中国化学（英文版）, 2009, 卷号: 27, 期号: 8, 页码: 1452-1458 作者:  Chen Xin;  Qiao Qingan;  Cai Zhengting;  Jin Yueqing;  Jing Jie 收藏  |  浏览/下载：4/0  |  提交时间：2019/12/26 pyridoxamine  reactive carbonyl compound  scavenge mechanism  density functional theory   Density functional theory study on the histidine-assisted mechanism of arylamine N-acetyltransferase acetylation 期刊论文 结构化学, 2008, 卷号: 27, 期号: 9, 页码: 1127-1133 作者:  QIAO QingAn;  GAO ShanMin;  JIN YueQing;  CHEN Xin;  SUN XiaoMin 收藏  |  浏览/下载：4/0  |  提交时间：2019/12/26 arylamine N-acetyltransferase  density functional theory  acetyl group transfer  histidine-assisted mechanism