QQ客服 官方微博 反馈留言

浏览/检索结果: 共31条，第1-10条 帮助 限定条件 发表日期：2007    专题：厦门大学    第一署名单位    第一作者单位    通讯作者单位     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 The X1 method for accurate and efficient prediction of heats of formation 期刊论文 2007 Wu, Jianming; Xu, Xin; 徐昕 收藏  |  浏览/下载：2/0  |  提交时间：2011/05/28 Novel beltlike and tubular structures of boron and carbon clusters containing the planar tetracoordinate carbon: A theoretical study of (C3B2)(n)H-4 (n=2-6) and (C3B2)(n) (n=4-8) 期刊论文 2007 Sun, Wenxiu（Shaanxi Normal Univ, Sch Chem & Mat Sci）; Zhang, Congjie（Shaanxi Normal Univ, Sch Chem & Mat Sci）; Cao, Zexing; 曹泽星 收藏  |  浏览/下载：8/0  |  提交时间：2011/05/04 Mechanisms for NH3 decomposition on the si(111)-7 x 7 surface: A DFT cluster model study 期刊论文 http://dx.doi.org/10.1021/jp05193s, 2007 Wang, Xinlan; Xu, Xin; 徐昕 收藏  |  浏览/下载：2/0  |  提交时间：2015/07/22 2P CORE-LEVEL  DISSOCIATIVE ADSORPTION  SI(100) SURFACE  LOW-TEMPERATURE  SYNCHROTRON-RADIATION  THERMAL NITRIDATION  SILICON SURFACES  DANGLING BONDS  INITIAL-STAGES  SI SURFACE   Open-shell singlet character of cyclacenes and short zigzag nanotubes 期刊论文 2007 Chen, Zhongfang; Jiang, De-En; Lu, Xin; 吕鑫; Bettinger, Holger F.; Dai, Sheng; Schleyer, Paul von Rague; Houk, Kendall N. 收藏  |  浏览/下载：5/0  |  提交时间：2011/05/28 ESI-MS and theoretical study on the coordination structures and reaction modes of the diperoxovanadate complexes containing histidine-like ligands 期刊论文 2007 Yu, Xian-Yong; 于贤勇; Xu, Xin; 徐昕; Chen, Zhong 收藏  |  浏览/下载：2/0  |  提交时间：2011/05/12 ESI-MS  DFT calculation  peroxovanadate complex  histidine-like ligand   Systematic studies on the computation of nuclear magnetic resonance shielding constants and chemical shifts: The density functional models 期刊论文 2007 Wu, Anan; 吴安安; Zhang, Ping; Xu, Xin; 徐昕; Yan, Wing 收藏  |  浏览/下载：3/0  |  提交时间：2011/05/29 density functional theory  nuclear magnetic resonance  magnetic shieldings  chemical shifts  GIAO   Theoretical and experimental studies on the adsorption behavior of thiophenol on gold nanoparticles 期刊论文 2007 Li, Shujin; Wu, Deyin; 吴德印; Xu, Xiaoyan; Gu, Renao 收藏  |  浏览/下载：1/0  |  提交时间：2011/05/29 adsorption behavior  density functional theory (DFT)  thiophenol (TP)  gold nanoparticles   A theoretical exploration of the interaction of adsorptive molecules with the ZnS clusters 期刊论文 2007 Huang, TingTing; Tan, Kai; Lin, MengHai; 林梦海 收藏  |  浏览/下载：5/0  |  提交时间：2011/05/15 density functional calculations  interaction  ZnS cluster   Theoretical study on the singlet excited state of pterin and its deactivation pathway 期刊论文 2007 Chen, Xing; Xu, Xuefei; Cao, Zexing; 曹泽星 收藏  |  浏览/下载：1/0  |  提交时间：2011/05/30 Ordered arrays of identical Nb-4 clusters on the GaN(0001) surface studied with first-principles calculations 期刊论文 http://dx.doi.org/10.1103/PhysRevB.75.245323, 2007 Wang, X. C.; Zhu, Z. Z.; 朱梓忠 收藏  |  浏览/下载：1/0  |  提交时间：2013/12/12 ENERGY  GAS