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浏览/检索结果: 共5条，第1-5条 帮助 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 Analogue quantum chemistry simulation 期刊论文 NATURE, 2019, 卷号: 574, 期号: 7777, 页码: 215 作者:  Argueello-Luengo, Javier;  Gonzalez-Tudela, Alejandro;  Shi, Tao;  Zoller, Peter;  Cirac, J. Ignacio 收藏  |  浏览/下载：2/0  |  提交时间：2020/06/16 GROUND-STATE  PHYSICS  ATOM   The Mechanism of E-H (E = N, O) Bond Activation by a Germanium Corrole Complex: A Combined Experimental and Computational Study 期刊论文 JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2015 Fang, Huayi; Jing, Huize; Ge, Haonan; Brothers, Penelope J.; Fu, Xuefeng; Ye, Shengfa 收藏  |  浏览/下载：6/0  |  提交时间：2017/12/03 HYDROGEN-ATOM TRANSFER  COUPLED ELECTRON-TRANSFER  APPROXIMATE COULOMB POTENTIALS  DENSITY-FUNCTIONAL THEORY  AUXILIARY BASIS-SETS  MAIN-GROUP ELEMENTS  PORPHYRIN COMPLEXES  CORRELATION-ENERGY  EXCHANGE REACTIONS  TRANSITION-METALS   Theoretical studies on the structural and spectroscopic properties of an iminocoumarin-based probe and its metal complexation: an implication for a fluorescence probe 期刊论文 dalton transactions, 2013, 卷号: 42, 期号: 36, 页码: 13004-13013 Guo YR; Li XR; Zhang MJ; Pan QJ; Sun ZM 收藏  |  浏览/下载：16/0  |  提交时间：2014/04/16 CLOSED-SHELL ATTRACTION  AUXILIARY BASIS-SETS  APPROXIMATE COULOMB POTENTIALS  INTRAMOLECULAR CHARGE-TRANSFER  PHOTOINDUCED ELECTRON-TRANSFER  DENSITY-FUNCTIONAL THEORY  EFFECTIVE CORE POTENTIALS  ZINC IONS  OFF-ON  PHOTOPHYSICAL PROPERTIES   Density functional calculations of large systems containing heavy elements by means of the regionalization algorithm 期刊论文 中国科学b辑 化学英文版, 2004 Hu, XQ; Li, LM 收藏  |  浏览/下载：4/0  |  提交时间：2015/11/12 density functional calculation  large system  transition metal  heavy element  regionalization algorithm  SELF-CONSISTENT  APPROXIMATION   Green function iterative solution of ground state wave function for Yukawa potential 期刊论文 HIGH ENERGY PHYSICS AND NUCLEAR PHYSICS-CHINESE EDITION, 2003, 卷号: 27, 期号: 3, 页码: #REF! 作者:  Zhang Z(张昭);  Zhao WQ(赵维勤);  Zhang, Z;  Zhao, WQ 收藏  |  浏览/下载：5/0  |  提交时间：2016/04/12 Green function  iterative solution  variational method  Yukawa potential