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厦门大学 [36]

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期刊论文 [35]

学位论文 [1]

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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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	Assessment of mode-mixing and Herzberg-Teller effects on two-photon absorption and resonance hyper-Raman spectra from a time-dependent approach 期刊论文 http://dx.doi.org/10.1063/1.4867273, 2014 Ma, HuiLi; Zhao, Yi; Liang, WanZhen; 赵仪; 梁万珍收藏 \| 浏览/下载：5/0 \| 提交时间：2015/07/22 DENSITY-FUNCTIONAL THEORY FRANCK-CONDON PRINCIPLE FLUORESCENT PROTEINS POLYATOMIC-MOLECULES EXCITATION PROFILES INCLUDING DUSCHINSKY VIBRONIC TRANSITIONS DYNAMICAL SYMMETRY INTENSITY ANALYSIS RESPONSE FUNCTIONS
	Analytical derivative techniques for TDDFT excited-state properties: Theory and application 期刊论文 http://dx.doi.org/10.1007/s11426-013-5006-6, 2014 Chen DanPing; Liu Jie; Ma HuiLi; Zeng Qiao; Liang WanZhen; 刘婕; 梁万珍收藏 \| 浏览/下载：4/0 \| 提交时间：2015/07/22 DENSITY-FUNCTIONAL THEORY TAMM-DANCOFF APPROXIMATION POTENTIAL-ENERGY SURFACES TIME-DEPENDENT APPROACH COUPLED-CLUSTER METHOD MANY-BODY METHODS 2ND DERIVATIVES GEOMETRY OPTIMIZATIONS QUANTUM-CHEMISTRY LARGE MOLECULES
	Binding interaction and raman spectra of p-π conjugated molecules containing CH2/NH2 groups adsorbed on silver surfaces: A DFT study of wagging modes 期刊论文 http://dx.doi.org/10.1021/jp4042777, 2013 Tao, Sha; Yu, Li-Juan; Pang, Ran; Huang, Yi-Fan; 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 Binding energy Electronic structure Frequency shift keying Molecular orbitals Molecules Polarization Tensors
	Solvent Effect and Hydrogen Bond Interaction on Tautomerism, Vibrational Frequencies, and Raman Spectra of Guanine: A Density Functional Theoretical Study 期刊论文 http://dx.doi.org/10.1021/jp401070m, 2013 Yu, Li-Juan; Pang, Ran; Tao, Sha; Yang, Hong-Tao; Wu, De-Yin; Tian, Zhong-Qun; 吴德印; 田中群收藏 \| 浏览/下载：7/0 \| 提交时间：2015/07/22 NUCLEIC-ACID CONSTITUENTS MECHANICAL FORCE-FIELDS D-SUBSTITUTED GUANINES AB-INITIO ALKYLATED DERIVATIVES CRYSTAL-STRUCTURE SILVER SURFACES EXACT-EXCHANGE SPECTROSCOPY COMPLEXES
	Analytical second derivatives of excited-state energy within the time-dependent density functional theory coupled with a conductor-like polarizable continuum model 期刊论文 http://dx.doi.org/10.1063/1.4773397, 2013 Liu, Jie; Liang, WanZhen; 刘婕; 梁万珍收藏 \| 浏览/下载：5/0 \| 提交时间：2015/07/22 TAMM-DANCOFF APPROXIMATION GREEN FLUORESCENT PROTEIN ANISOTROPIC DIELECTRICS SOLVATION MODELS INFRARED-SPECTRA SOLVENT IMPLEMENTATION EQUATIONS FLUORENONE GRADIENTS
	Vibrationally resolved photoelectron imaging of platinum carbonyl anion Pt(CO)(n)(-) (n=1-3): Experiment and theory 期刊论文 http://dx.doi.org/10.1063/1.4768004, 2012 Liu, Zhiling; Xie, Hua; Qin, Zhengbo; Cong, Ran; Wu, Xia; Tang, Zichao; Lu, Xin; He, Jian; 何坚收藏 \| 浏览/下载：5/0 \| 提交时间：2015/07/22 VALENCE PHOTOEMISSION SPECTRA COLLISION-INDUCED DISSOCIATION DENSITY-FUNCTIONAL THEORY ELECTRONIC-STRUCTURES RAMAN-SPECTROSCOPY BINDING-ENERGIES BASIS-SETS CO PD ATOMS
	A SERS study of thiocyanate adsorption on Au-core Pd-shell nanoparticle film electrodes 期刊论文 http://dx.doi.org/10.1016/j.jelechem.2011.11.025, 2012 Fang, P. P.; Li, J. F.; Lin, X. D.; Anema, J. R.; Wu, D. Y.; Ren, B.; Tian, Z. Q.; 任斌收藏 \| 浏览/下载：4/0 \| 提交时间：2013/12/12 ENHANCED RAMAN-SPECTROSCOPY VIBRATIONAL FREQUENCIES GOLD NANOPARTICLES METAL ELECTRODES SILVER ELECTRODE ZERO CHARGE SURFACE PALLADIUM SCATTERING AU(111)
	A SERS study of thiocyanate adsorption on Au-core Pd-shell nanoparticle film electrodes 期刊论文 http://dx.doi.org/10.1016/j.jelechem.2011.11.025, 2012 Fang, P. P.; Li, J. F.; Lin, X. D.; Anema, J. R.; Wu, D. Y.; Ren, B.; Tian, Z. Q.; 田中群收藏 \| 浏览/下载：5/0 \| 提交时间：2013/12/12 ENHANCED RAMAN-SPECTROSCOPY VIBRATIONAL FREQUENCIES GOLD NANOPARTICLES METAL ELECTRODES SILVER ELECTRODE ZERO CHARGE SURFACE PALLADIUM SCATTERING AU(111)
	A SERS study of thiocyanate adsorption on Au-core Pd-shell nanoparticle film electrodes 期刊论文 http://dx.doi.org/10.1016/j.jelechem.2011.11.025, 2012 Fang, Ping-Ping; Li, Jian-Feng; Lin, Xiao-Dong; Anema, Jason R.; Wu, De-Yin; Ren, Bin; Tian, Zhong-Qun; 任斌收藏 \| 浏览/下载：5/0 \| 提交时间：2013/12/12 ENHANCED RAMAN-SPECTROSCOPY VIBRATIONAL FREQUENCIES GOLD NANOPARTICLES METAL ELECTRODES SILVER ELECTRODE ZERO CHARGE SURFACE PALLADIUM SCATTERING AU(111)
	过渡金属表面α-吡啶基的振动光谱学判据期刊论文 2011 苏抒; 黄荣; 赵刘斌; 吴德印; 田中群收藏 \| 浏览/下载：6/0 \| 提交时间：2012/07/16 红外光谱表面增强拉曼光谱吡啶 α-吡啶基 Infrared spectroscopy Surface-enhanced Raman spectroscopy Pyridine α-Pyridyl

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