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浏览/检索结果: 共4条，第1-4条 帮助 限定条件 发表日期：2012    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 Adsorption and Dissociation of Ammonia on Graphene Oxides: A First-Principles Study 期刊论文 2012 Tang, Shaobin; Cao, Zexing; 曹泽星 收藏  |  浏览/下载：11/0  |  提交时间：2013/04/10 CHEMICALLY DERIVED GRAPHENE  GRAPHITE OXIDE  TRANSPARENT CONDUCTORS  THERMAL REDUCTION  CARBON NANOTUBES  THIN-FILMS  SENSORS  GAS  NO2  MOLECULES   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   Significant effect of spin flip on the oxygen atom transfer reaction from (oxo)manganese(v) corroles to thioanisole: insights from density functional calculations 期刊论文 http://dx.doi.org/10.1039/c2cp41647f, 2012 Zhu, Chun; Liang, Jinxia; Wang, Binju; Zhu, Jun; Cao, Zexing; 曹泽星; 朱军 收藏  |  浏览/下载：4/0  |  提交时间：2013/12/12 FLASH-PHOTOLYSIS GENERATION  CYTOCHROME-P450 ENZYMES  CORRELATION-ENERGY  MANGANESE CORROLE  IRON COMPLEXES  MILD OXIDATION  STATES  EPOXIDATION  MECHANISM  CATALYSIS