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	Theoretical Framework of 1,3-Thiazolium-5-Thiolates Mesoionic Compounds: Exploring the Nature of Photophysical Property and Molecular Nonlinearity 期刊论文 OAI收割 JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 卷号: 124, 期号: 27, 页码: 5563-5569 作者: Liu, Zeyu; Tian, Ziqi; Lu, Tian; Hua, Shugui \| 收藏 \| 浏览/下载：19/0 \| 提交时间：2020/12/16 DENSITY-FUNCTIONAL THEORY ZETA VALENCE QUALITY GAUSSIAN-BASIS SETS 1ST HYPERPOLARIZABILITY EXCITATION-ENERGIES OPTICAL PROPERTIES APPROXIMATION ABSORPTION PARAMETERS CRYSTAL
	*Long-lived coherence in pentafluorobenzene as a probe of pi pi - pi sigma* vibronic coupling** 期刊论文 OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2016, 卷号: 145, 期号: 1 作者: Hueter, O.; Sala, M.; Neumann, H.; Zhang, S.; Studzinski, H. 收藏 \| 浏览/下载：18/0 \| 提交时间：2016/09/05
	Ethylene glycol reforming on Pt(111): first-principles microkinetic modeling in vapor and aqueous phases 期刊论文 OAI收割 Catalysis Science & Technology, 2016, 卷号: 6, 期号: 23, 页码: 8242-8256 作者: Lu, Jianmin; Faheem, Muhammad; Saleheen, Mohammad; Heyden, Andreas 收藏 \| 浏览/下载：14/0 \| 提交时间：2017/10/29
	Are polynuclear superhalogens without halogen atoms probable? A high-level ab initio case study on triple-bridged binuclear anions with cyanide ligands 期刊论文 OAI收割 JOURNAL OF CHEMICAL PHYSICS, 2014, 卷号: 140 作者: Yin, Bing; Li, Teng; Li, Jin-Feng; Yu, Yang; Li, Jian-Li \| 收藏 \| 浏览/下载：10/0 \| 提交时间：2018/07/05
	Nonheme Iron Oxidant Formed in the Presence of H2O2 and Acetic Acid Is the Cyclic Ferric Peracetate Complex, Not a Perferryloxo Complex 期刊论文 OAI收割 acs catalysis, 2013, 卷号: 3, 期号: 6, 页码: 1334-1341 作者: Wang, Yong; Janardanan, Deepa; Usharani, Dandamudi; Han, Keli; Que, Lawrence, Jr. 收藏 \| 浏览/下载：17/0 \| 提交时间：2014/09/11 nonheme iron C-H activation density functional calculations oxometal O-O homolysis