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厦门大学 [77]

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期刊论文 [77]

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限定条件	专题：厦门大学第一署名单位第一作者单位通讯作者单位

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	In Search of Flexible Molecular Wires with Near Conformer-Independent Conjugation and Conductance: A Computational Study 期刊论文 http://dx.doi.org/10.1021/jp409767r, 2014 Emanuelsson, Rikard; Lofas, Henrik; Zhu, Jun; Ahuja, Rajeev; Grigoriev, Anton; Ottosson, Henrik; 朱军收藏 \| 浏览/下载：5/0 \| 提交时间：2015/07/22 MAIN-GROUP THERMOCHEMISTRY DENSITY-FUNCTIONAL THEORY NONCOVALENT INTERACTIONS CROSS-HYPERCONJUGATION EXCITATION-ENERGIES MATRIX-ISOLATION BUILDING-BLOCK SILICON GOLD APPROXIMATION
	The V state of ethylene: valence bond theory takes up the challenge 期刊论文 http://dx.doi.org/10.1007/s00214-013-1441-x, 2014 Wu, Wei; Zhang, Huaiyu; Braida, Benoit; Shaik, Sason; Hiberty, Philippe C.; 吴玮收藏 \| 浏览/下载：15/0 \| 提交时间：2015/07/22 VERTICAL EXCITATION-ENERGIES COUPLED-CLUSTER CALCULATIONS EXCITED-STATES CONFIGURATION-INTERACTION WAVE-FUNCTIONS DYNAMIC CORRELATION BREATHING ORBITALS BASIS-SETS PI ASTERISK
	Theoretical study on conformational features and cation-binding properties of a diquinone calix[4]arene 期刊论文 http://dx.doi.org/10.1080/10610278.2013.817675, 2014 Xia, Yong; Wang, Xueye; 夏泳收藏 \| 浏览/下载：3/0 \| 提交时间：2015/07/22 EFFECTIVE CORE POTENTIALS MOLECULAR CALCULATIONS PI INTERACTIONS COMPLEXATION RECEPTORS RECOGNITION REDOX DFT 1,3-ALTERNATE CALIXARENE
	Theoretical study on supramolecular chemistry of alkali-metal cations with crown ether derivatized thiophenes 期刊论文 http://dx.doi.org/10.1142/S0219633614500291, 2014 Wang, Qin; Li, Mi; Wang, Xue-Ye; Li, Ling; 王勤收藏 \| 浏览/下载：3/0 \| 提交时间：2015/07/22 EFFECTIVE CORE POTENTIALS DENSITY-FUNCTIONAL THEORY PI-CONJUGATED SYSTEMS BASIS-SETS ORBITALS SENSORS POLYTHIOPHENES COMPLEXES MACHINES IONS
	On the large sigma-hyperconjugation in alkanes and alkenes 期刊论文 http://dx.doi.org/10.1007/s00894-014-2228-2, 2014 Wu, Judy I-Chia; Wang, Changwei; McKee, William Chadwick; Schleyer, Paul von Rague; Wu, Wei; Mo, Yirong; 吴玮; 莫亦荣收藏 \| 浏览/下载：3/0 \| 提交时间：2015/07/22 INITIO VALENCE-BOND LOCALIZED MOLECULAR-ORBITALS INTERMOLECULAR INTERACTIONS CONJUGATION STABILIZATION CONFORMATIONAL-ANALYSIS STAGGERED CONFORMATION THEORETICAL-ANALYSIS RESONANCE ENERGY SELF-CONSISTENT DELOCALIZATION
	Reactivity Studies of (Phenylethynyl)germylene LGeC CPh (L = HC[C(Me)N-2,6-iPr(2)C(6)H(3)](2)) toward Pentafluorophenylcopper(I), -silver(I), and -gold(I) Complexes 期刊论文 http://dx.doi.org/10.1021/om300724t, 2013 Zhao, Na; Zhang, Jinyuan; Yang, Ying; Chen, Guifang; Zhu, Hongping; Roesky, Herbert W.; 朱红平收藏 \| 浏览/下载：3/0 \| 提交时间：2013/12/12 RANSITION-METAL-COMPLEXES N-HETEROCYCLIC CARBENE UNSUPPORTED SILVER-GERMANIUM PI-STACKING INTERACTIONS BETA-DIKETIMINATE STRUCTURAL-CHARACTERIZATION STABILIZED COMPLEXES GERMYLENE COMPLEXES COPPER(I) CHEMISTRY
	Raman Spectra of Amino Wagging Vibrational Modes in p-pi-Conjugated Molecules 期刊论文 http://dx.doi.org/10.3866/PKU.WHXB201306032, 2013 Tao Sha; Yu Li-Juan; Wu De-Yin; Tian Zhong-Qun; 吴德印; 田中群收藏 \| 浏览/下载：2/0 \| 提交时间：2015/07/22 INFRARED DEPLETION SPECTROSCOPY EFFECTIVE CORE POTENTIALS SUPERSONIC JET ANILINE CLUSTERS AG ADSORPTION VINYLAMINE SILVER PHASE
	Acyclic Germylones: Congeners of Allenes with a Central Germanium Atom 期刊论文 http://dx.doi.org/10.1021/ja406112u, 2013 Li, Yan; Mondal, Kartik Chandra; Roesky, Herbert W.; Zhu, Hongping; Stollberg, Peter; Herbst-Irmer, Regine; Stalke, Dietmar; Andrada, Diego M.; 李彦; 朱红平收藏 \| 浏览/下载：2/0 \| 提交时间：2015/07/22 DIVALENT CARBON(0) COMPOUNDS PLANAR NICKEL-COMPLEXES THEORETICAL EVIDENCE DIRADICAL CHARACTER CORRELATION-ENERGY AB-INITIO DENSITY SILICON(0) CARBODICARBENES APPROXIMATION
	Reactivity study of a hydroxyl coordinated osmium vinyl complex OsCl2(PPh3)(2)[CH=C(PPh3)CHPh(OH)] 期刊论文 http://dx.doi.org/10.1007/s11426-013-4876-y, 2013 Liu Bin; Zhao QianYi; Wang HuiJuan; Zeng BiRong; Cao XiaoYu; Xia HaiPing; 曾碧榕; 曹晓宇; 夏海平收藏 \| 浏览/下载：6/0 \| 提交时间：2015/07/22 4+2 CYCLOADDITION REACTION C-H ACTIVATION ALPHA,BETA-UNSATURATED KETONES ELECTROCHEMICAL PROPERTIES STABLE RUTHENABENZENES DIHYDROGEN COMPLEX BOND ACTIVATION METALLABENZYNES OSMABENZENES SUBSTITUENTS
	Quadruple bonding in C-2 and analogous eight-valence electron species 期刊论文 http://dx.doi.org/10.1038/nchem.1263, 2012 Shaik, S.; Danovich, D.; Wu, W.; Su, P. F.; Rzepa, H. S.; Hiberty, P. C.; 吴玮收藏 \| 浏览/下载：4/0 \| 提交时间：2013/12/12 POTENTIAL-ENERGY CURVES AB-INITIO CALCULATIONS MAIN-GROUP ELEMENTS MULTIPLE BONDS QUINTUPLE BOND MOLECULES STATES X-1-SIGMA(+)(G) CHEMISTRY CLUSTERS

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