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li-weixing
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【序号】:1

【作者】:Ciccioli, A.; Gigli, G.

【题名】:Study of the Fundamental Units of Novel Semiconductor Materials: Structures, Energetics, and Thermodynamics of the Ge-Sn and Si-Ge-Sn Molecular Systems

【期刊】:JOURNAL OF PHYSICAL CHEMISTRY A 

【年、卷、期、起止页码】:卷: 116  期: 26  页: 7107-7122 
【全文链接】: http://pubs.acs.org/doi/abs/10.1021/jp300624z

【序号】:2

【作者】:Krainara, Norawit; Illas, Francesc; Limtrakul, Jumras

【题名】: Interaction of adenine Cu(II) complexes with BN-doped fullerene differentiates electronically equivalent tautomers

【期刊】:CHEMICAL PHYSICS LETTERS

【年、卷、期、起止页码】:

【全文链接】:卷: 537  页: 88-93

【序号】:3

【作者】:Li Chun-Min; Kan Yu-He; Xu Ying-Ying;

【题名】: Theoretical Studies on the Effect of Push/Pull Substituent on the Electronic Structure and Spectroscopic Properties of PCBM

【期刊】:CHEMICAL JOURNAL OF CHINESE UNIVERSITIES-CHINESE

【年、卷、期、起止页码】:卷: 33  期: 3  页: 591-597

【全文链接】:

【序号】:4【作者】:Wang, Feng; Pang, Wenning; Duffy, Patrick【题名】: Performance assessment of density functional theory-based models using orbital momentum distributions【期刊】:MOLECULAR SIMULATION 【年、卷、期、起止页码】:卷: 38  期: 6  页: 468-480【全文链接】:

【序号】:5【作者】: Arachchilage, Anoja Pushpamali Wickrama; Wang, Yong; Wang, Feng【题名】: A quantum mechanical study of bioactive 3-chloro-2,5-dihydroxybenzyl alcohol through substitutions【期刊】:THEORETICAL CHEMISTRY ACCOUNTS 【年、卷、期、起止页码】:卷: 130  期: 4-6  页: 965-979 【全文链接】:
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