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浏览/检索结果: 共13条，第1-10条 帮助 限定条件 发表日期：2000    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 Theoretical prediction of the structures and properties of cyclic AlS2 and GaS2 systems at density functional theory and all-electron correlation levels 期刊论文 CHEMICAL PHYSICS LETTERS, 2000, 卷号: 319, 期号: 5-6, 页码: 725-732 作者:  Bu, YX;  Song, XY;  Liu, CB 收藏  |  浏览/下载：1/0  |  提交时间：2020/01/14 Vibrational frequencies of hydrazoic acid and methyl azide: density functional theory study 期刊论文 Chinese Journal of Chemistry, 2000, 期号: 03, 页码: 297-302 作者:  周正宇,杜冬梅,付爱萍,俞庆森 收藏  |  浏览/下载：2/0  |  提交时间：2020/01/14 Density functional theory  vibrational spectra  hydrazoic acid  methyl azide.   Structural analysis of the cyclic AlO2 and AlS2 systems in doublet and quartet states at density functional theory and the electron correlation levels 期刊论文 JOURNAL OF CHEMICAL PHYSICS, 2000, 卷号: 113, 期号: 10, 页码: 4216-4229 作者:  Bu, YX;  Song, XY 收藏  |  浏览/下载：1/0  |  提交时间：2020/01/14 Studies on density functional theory for the electron-transfer reaction mechanism between M-C6H6 and M+-C6H6 complexes in the gas phase 期刊论文 INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2000, 卷号: 78, 期号: 3, 页码: 186-194 作者:  Zhou, ZY;  Fu, AP;  Du, DM 收藏  |  浏览/下载：1/0  |  提交时间：2020/01/14 density functional theory  electron transfer reaction  encounter  complex  transition state   Theoretical study of the hydrogen bonded structures between H2S and OH radical 期刊论文 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2000, 卷号: 505, 页码: 241-246 作者:  Wang, BS;  Hou, H;  Gu, YS 收藏  |  浏览/下载：1/0  |  提交时间：2020/01/14 ab initio  density functional theory  hydrogen bonding  hydrogen  sulfide  hydroxyl radical   The bonding character of the cyclic AlSO and GaSO species: ab initio investigations at density functional theory and the electron correlation levels 期刊论文 CHEMICAL PHYSICS LETTERS, 2000, 卷号: 322, 期号: 6, 页码: 503-512 作者:  Bu, YX 收藏  |  浏览/下载：1/0  |  提交时间：2020/01/14 Density functional theory study on the structure and vibrational spectra for 4-methyl-3-pentene-2-one 期刊论文 JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2000, 卷号: 530, 期号: 1-2, 页码: 149-154 作者:  Zhou, ZY;  Du, DM;  Fu, AP;  Yu, QS 收藏  |  浏览/下载：1/0  |  提交时间：2020/01/14 density functional theory  vibrational spectra  4-methyl-3-pentene-2-one   Electron transfer reaction between M-C6H6 and M+-C6H6 complexes in the gas phase: Density functional-theory study 期刊论文 CHINESE CHEMICAL LETTERS, 2000, 卷号: 11, 期号: 3, 页码: 219-222 作者:  Fu, AP;  Du, DM;  Zhou, ZY 收藏  |  浏览/下载：1/0  |  提交时间：2020/01/14 M-C6H6 complex  density functional theory  rate constant   Vibrational frequencies of hydrazoic acid and methyl azide: density functional theory study 期刊论文 CHINESE JOURNAL OF CHEMISTRY, 2000, 卷号: 18, 期号: 3, 页码: 297-302 作者:  Zhou, ZY;  Du, DM;  Fu, AP;  Yu, QS 收藏  |  浏览/下载：2/0  |  提交时间：2020/01/14 density functional theory  vibrational spectra  hydrazoic acid  methyl  azide   Structures and vibrational frequencies of pyruvic acid: density functional theory study 期刊论文 VIBRATIONAL SPECTROSCOPY, 2000, 卷号: 23, 期号: 2, 页码: 181-186 作者:  Zhou, ZY;  Du, DM;  Fu, AP 收藏  |  浏览/下载：1/0  |  提交时间：2020/01/14 density functional theory  vibrational spectra  pyruvic acid