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浏览/检索结果: 共8条，第1-8条 帮助 限定条件 专题：山东大学    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 Distinct diameter dependence of redox property for armchair, zigzag single-walled, and double-walled carbon nanotubes 期刊论文 Design and Applications of Nanomaterials for Sensors, 2014, 页码: 31-60 作者:  Sun W.;  Bu Y.;  Wang Y. 收藏  |  浏览/下载：3/0  |  提交时间：2019/12/17 Carbon nanotubes  Density of states  DFT  Ionization potentials and electron affinities  Redox chemistry   Density Functional Theory Study on the Ionization Potentials and Electron Affinities of Thymine-Formamide Complexes 期刊论文 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2009, 卷号: 109, 期号: 6, 页码: 1410-1417 作者:  Sun, Haitao;  Tang, Ke;  Li, Yanmin;  Su, Chunfang;  Zhou, Zhengyu 收藏  |  浏览/下载：1/0  |  提交时间：2019/12/26 hydrogen bonding  complexes  ionization potentials  electron affinities   DENSITY FUNCTIONAL THEORY STUDY ON THE IONIZATION POTENTIALS AND ELECTRON AFFINITIES OF ADENINE-FORMAMIDE COMPLEXES 期刊论文 Journal of theoretical & computational chemistry, 2009, 卷号: 8, 期号: 2, 页码: 187-201 作者:  KE TANG;  HAI-TAO SUN;  ZHENG-YU ZHOU;  ZHI-ZHONG WANG 收藏  |  浏览/下载：1/0  |  提交时间：2019/12/26 Ionization potentials  electron affinities  hydrogen bond  adenine  formamide   The density functional theory study on the ionization potentials and electron affinities of cytosine-formamide complexes 期刊论文 RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 卷号: 83, 期号: 3, 页码: 436-443 作者:  Su, Chun-fang;  Li, Yan-min;  Zhou, Zheng-yu;  Wang, Xiang-xiang;  Ma, Ke-sheng 收藏  |  浏览/下载：1/0  |  提交时间：2019/12/26 DFT calculations of the ionization potentials and electron affinities of serinamide 期刊论文 International Journal of Quantum Chemistry, 2006, 卷号: 106, 期号: 9, 页码: 2073-2081 作者:  Lu JF;  Zhu SL;  Zhou ZY;  Wu QY;  Zhao G 收藏  |  浏览/下载：3/0  |  提交时间：2020/01/03 serinamide  density function theory  ionization potential  electron affinity  DENSITY-FUNCTIONAL THEORY  NUCLEIC-ACID BASES  DNA-BASE  ANIONS  5-HALOURACILS  RADICALS  ENERGETICS  MOLECULES  CYTOSINE  ADENINE   Correlation study of Franck-Condon barriers associated with electron self-exchange reactions with ionization potentials and electron affinities and experimental Born-Oppenheimer potentials 期刊论文 THEOCHEM-JOURNAL OF MOLECULAR STRUCTURE, 1998, 卷号: 422, 页码: 219-228 作者:  Bu, YX;  Liu, YJ;  Deng, CH 收藏  |  浏览/下载：1/0  |  提交时间：2020/01/14 Franck-Condon barrier  ionization potential  electron affinity  Born-Oppenheimer potential  electron self-exchange reaction   A theoretical scheme to obtain the inner-sphere reorganization energies for HA + HA+ (A = Be, B, C, N, O and F) self-exchange reactions via ionization potentials and electron affinities 期刊论文 Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems, 1995, 期号: 1, 页码: 211-218 作者:  Yuxiang Bu;  Xinyu Song;  Conghao Deng 收藏  |  浏览/下载：3/0  |  提交时间：2020/01/14 Inner-sphere reorganization  Ionization potential and affinity  HA/HA+ (A= Be  B  C  N  0  and F)  Potential function   A theoretical scheme to obtain the inner-sphere reorganization energies for HA+HA(+) (A=Be, B, C, N, O and F) self-exchange reactions via ionization potentials and electron affinities 期刊论文 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 1995, 卷号: 358, 页码: 211-218 作者:  Bu, YX;  Song, XY;  Deng, CH 收藏  |  浏览/下载：3/0  |  提交时间：2020/01/14 inner-sphere reorganization  ionization potential and affinity  HA/HA(+)  (A=Be, B, C, N, O, and F)  potential function