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厦门大学 [22]

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期刊论文 [22]

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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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	Ligand effect on the CuI-catalyzed C-S coupling reaction: A density functional theoretical study 期刊论文 http://dx.doi.org/10.1016/j.comptc.2014.03.019, 2014 Li, Lai-Cai; Sun, Fang-Fang; Pang, Ran; Wu, De-Yin; 吴德印收藏 \| 浏览/下载：6/0 \| 提交时间：2015/07/22 EFFECTIVE CORE POTENTIALS ARYL HALIDES MOLECULAR CALCULATIONS THIOLS MECHANISM SULFOXIDATION THIOETHERS COMPLEXES EFFICIENT SULFIDE
	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
	Computational Insight on the Working Principles of Zinc Porphyrin Dye-Sensitized Solar Cells 期刊论文 http://dx.doi.org/10.1021/jp3125445, 2013 Ju, Ming-Gang; Liang, WanZhen; 梁万珍收藏 \| 浏览/下载：5/0 \| 提交时间：2015/07/22 EFFECTIVE CORE POTENTIALS INTERFACIAL ELECTRON-TRANSFER AB-INITIO TIO2 NANOPARTICLES MOLECULAR CALCULATIONS EXCITED-STATES TITANIUM-DIOXIDE CHARGE-TRANSFER TD-DFT DYNAMICS
	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
	Ligand-Induced Changes in the Characteristic Size-Dependent Electronic Energies of CdSe Nanocrystals 期刊论文 http://dx.doi.org/10.1021/jp403164w, 2013 Bloom, Brian P.; Zhao, Liu-Bin; Wang, Yang; Waldeck, David H.; Liu, Ruibin; Zhang, Peng; Beratan, David N.; 赵刘斌收藏 \| 浏览/下载：2/0 \| 提交时间：2015/07/22 DENSITY-FUNCTIONAL THEORY EFFECTIVE CORE POTENTIALS DOT-ORGANIC COMPLEXES BAND-EDGE ENERGIES QUANTUM DOTS OPTICAL-PROPERTIES SEMICONDUCTOR NANOCRYSTALS MOLECULAR CALCULATIONS EXCITON CONFINEMENT CYCLIC VOLTAMMETRY
	Structural and Charge Sensitivity of Surface-Enhanced Raman Spectroscopy of Adenine on Silver Surface: A Quantum Chemical Study 期刊论文 http://dx.doi.org/10.1021/jp407615r, 2013 Huang, Rong; Yang, Hong-Tao; Cui, Li; Wu, De-Yin; Ren, Bin; Tian, Zhong-Qun; 吴德印; 任斌; 田中群收藏 \| 浏览/下载：5/0 \| 提交时间：2015/07/22 NUCLEIC-ACID BASES DENSITY-FUNCTIONAL THEORY EFFECTIVE CORE POTENTIALS SCATTERING SERS MOLECULAR CALCULATIONS AB-INITIO METAL NANOPARTICLES AG ELECTRODES GAS-PHASE SPECTRA
	Adsorption and reduction reactions of anthraquinone derivatives on gold electrodes studied with electrochemical surface-enhanced Raman spectroscopy 期刊论文 http://dx.doi.org/10.1002/jrs.4083, 2012 Dai, K.; Huang, R.; Jiang, R.; Ke, H. X.; Li, F.; Jin, S.; Wu, D. Y.; Tian, Z. Q.; 田中群收藏 \| 浏览/下载：2/0 \| 提交时间：2013/12/12 SELF-ASSEMBLED MONOLAYERS EFFECTIVE CORE POTENTIALS MOLECULAR CALCULATIONS QUANTUM INTERFERENCE SERS SPECTROSCOPY SINGLE-MOLECULE SCATTERING FERROCENE SILVER NANOSTRUCTURES
	A DFT study on photoinduced surface catalytic coupling reactions on nanostructured silver: selective formation of azobenzene derivatives from para-substituted nitrobenzene and aniline 期刊论文 http://dx.doi.org/10.1039/c2cp41502j, 2012 Zhao, L. B.; Huang, Y. F.; Liu, X. M.; Anema, J. R.; Wu, D. Y.; Ren, B.; Tian, Z. Q.; 田中群收藏 \| 浏览/下载：4/0 \| 提交时间：2013/12/12 ENHANCED RAMAN-SCATTERING SELF-ASSEMBLED MONOLAYERS ELECTROORGANIC REACTION PATHWAYS DENSITY-FUNCTIONAL THEORY EFFECTIVE CORE POTENTIALS P-AMINOTHIOPHENOL MOLECULAR CALCULATIONS CYCLIC VOLTAMMETRY ROUGHENED SILVER INDUCED PHOTOREDUCTION
	Tautomerization, Solvent Effect and Binding Interaction on Vibrational Spectra of Adenine-Ag+ Complexes on Silver Surfaces: A DFT Study 期刊论文 http://dx.doi.org/10.1021/jp201977z, 2011 Huang, R.; Zhao, L. B.; Wu, D. Y.; Tian, Z. Q.; 田中群收藏 \| 浏览/下载：3/0 \| 提交时间：2013/12/12 ENHANCED-RAMAN-SPECTROSCOPY DENSITY-FUNCTIONAL THEORY NUCLEIC-ACID CONSTITUENTS MASS-SPECTROMETRY EXPERIMENTS DOUBLE-RESONANCE SPECTROSCOPY EXPERIMENTAL-MATRIX-ISOLATION EFFECTIVE CORE POTENTIALS JET-COOLED ADENINE AB-INITIO INFRARED-SPECTRA

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