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浏览/检索结果: 共4条，第1-4条 帮助 限定条件 内容类型：期刊论文    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 Theoretical Study on the Stability and Aromaticity of Metallasilapentalynes 期刊论文 http://dx.doi.org/10.1021/om500170w, 2014 Wang, Xuerui; Zhu, Congqing; Xia, Haiping; Zhu, Jun; 夏海平; 朱军 收藏  |  浏览/下载：6/0  |  提交时间：2015/07/22 MAIN-GROUP ELEMENTS  GENERALIZED GRADIENT APPROXIMATION  ELECTRON LOCALIZATION FUNCTION  INDEPENDENT CHEMICAL-SHIFTS  RAY CRYSTAL-STRUCTURE  SILICON TRIPLE BOND  TRANSITION-METAL  NONCOVALENT INTERACTIONS  NUCLEOPHILIC 3-VINYL-1-CYCLOPROPENE  STABLE RUTHENABENZENES   Theoretical study on the stability of osmasilabenzynes 期刊论文 http://dx.doi.org/10.1039/c3dt53528b, 2014 Huang, Ying; Wang, Xuerui; An, Ke; Fan, Jinglan; Zhu, Jun; 朱军 收藏  |  浏览/下载：3/0  |  提交时间：2015/07/22 ELECTRON LOCALIZATION FUNCTION  INDEPENDENT CHEMICAL-SHIFTS  RAY CRYSTAL-STRUCTURE  POTENTIAL BASIS-SETS  SILICON TRIPLE BOND  MAIN-GROUP ELEMENTS  TRANSITION-METAL  SILYLENE COMPLEXES  DENSITY FUNCTIONALS  POLARIZATION FUNCTIONS   Block-Localized Wavefunction (BLW) Based Two-State Approach for Charge Transfers between Phenyl Rings 期刊论文 http://dx.doi.org/10.1021/ct2008318, 2012 Mo, Yirong; Song, Lingchun; Lin, Yuchun; Liu, Minghong; Cao, Zexing; Wu, Wei; 曹泽星 收藏  |  浏览/下载：5/0  |  提交时间：2013/12/12 ELECTRON-TRANSFER REACTIONS  POTENTIAL-ENERGY SURFACES  AB-INITIO CALCULATIONS  VALENCE-BOND THEORY  MULTICONFIGURATION MOLECULAR-MECHANICS  TRANSFER MATRIX-ELEMENTS  LIGHT-EMITTING-DIODES  CONJUGATED POLYMERS  CHEMICAL-REACTIONS  REORGANIZATION ENERGIES   Block-Localized Wavefunction (BLW) Based Two-State Approach for Charge Transfers between Phenyl Rings 期刊论文 http://dx.doi.org/10.1021/ct2008318, 2012 Mo, Y. R.; Song, L. C.; Lin, Y. C.; Liu, M. H.; Cao, Z. X.; Wu, W.; 吴玮 收藏  |  浏览/下载：2/0  |  提交时间：2013/12/12 ELECTRON-TRANSFER REACTIONS  POTENTIAL-ENERGY SURFACES  AB-INITIO CALCULATIONS  VALENCE-BOND THEORY  MULTICONFIGURATION MOLECULAR-MECHANICS  TRANSFER MATRIX-ELEMENTS  LIGHT-EMITTING-DIODES  CONJUGATED POLYMERS  CHEMICAL-REACTIONS  REORGANIZATION ENERGIES