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	New Implementations of MRCI in Semiempirical Frameworks 期刊论文 OAI收割 JOURNAL OF COMPUTATIONAL CHEMISTRY, 2010, 卷号: 31, 页码: 1752-1758 作者: Lei, Yibo; Suo, Bingbing; Dou, Yusheng; Wang, Yubin; Wen, Zhenyi \| 收藏 \| 浏览/下载：11/0 \| 提交时间：2018/05/31 semiempirical methods multireference CI hole-particle symmetry doubly contracted CI
	Conformational analysis of 2,2 '-bithiophene under interaction of external electric field defined by point charges 期刊论文 OAI收割 chemical physics letters, 2002, 卷号: 351, 期号: 5-6, 页码: 481-485 Zhao JW 收藏 \| 浏览/下载：248/61 \| 提交时间：2010/11/03 SEMIEMPIRICAL METHODS POLARIZABILITIES POLYTHIOPHENES OPTIMIZATION BITHIOPHENE PARAMETERS MODEL WELL
	Conformational and orientational analyses of 2,2 '-bithiophene under interaction of external electric field constructed by point charges 期刊论文 OAI收割 synthetic metals, 2002, 卷号: 128, 期号: 3, 页码: 261-266 Zhao JW 收藏 \| 浏览/下载：185/25 \| 提交时间：2010/11/03 MOLECULAR-CONFORMATION SEMIEMPIRICAL METHODS TORSION ANGLE POLARIZABILITIES POLYTHIOPHENES OPTIMIZATION DERIVATIVES PARAMETERS POLYENES STATES
	Quantitative structure-property relationships for vapor pressure of PCDD/Fs 期刊论文 OAI收割 BULLETIN OF ENVIRONMENTAL CONTAMINATION AND TOXICOLOGY, 2001, 卷号: 66, 期号: 3, 页码: 277-282 作者: Chen, JW; Quan, X; Yan, Y; Zhao, YZ; Yang, FL 收藏 \| 浏览/下载：30/0 \| 提交时间：2010/10/13 SEMIEMPIRICAL METHODS DISRUPTING CHEMICALS OPTIMIZATION PARAMETERS ENDOCRINE
	Mass spectrometry study combined with theoretical calculation on the unimolecular fragmentation of tetrahydroimidazole-substituted methylene beta-diketones 期刊论文 OAI收割 chemical journal of chinese universities-chinese, 1999, 卷号: 20, 期号: 1, 页码: 101-106 Wei JH; She YM; Xu WG; Liu SY 收藏 \| 浏览/下载：205/37 \| 提交时间：2010/11/04 ION-NEUTRAL COMPLEXES GAS-PHASE SEMIEMPIRICAL METHODS OPTIMIZATION REACTIVITY PARAMETERS CHEMISTRY