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科研机构
厦门大学 [98]
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期刊论文 [97]
学位论文 [1]
发表日期
2015 [1]
2014 [19]
2013 [3]
2012 [16]
2011 [11]
2010 [8]
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电化学表面增强拉曼光谱的量子化学研究
期刊论文
2015
庞然
;
金曦
;
赵刘斌
;
丁松园
;
吴德印
;
田中群
收藏
  |  
浏览/下载:118/0
  |  
提交时间:2016/05/17
量子化学
表面增强拉曼光谱
电荷转移态
表面等离激元共振
电化学
Quantum chemistry
Surface-enhanced Raman spectroscopy
Charge transfer state
Surface plasmon resonance
Electrochemistry
单双层石墨烯的制备及电导特性调控
期刊论文
2014
吴雅苹
;
康俊勇
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2016/05/17
石墨烯
化学气相沉积
电子结构
第一性原理计算
graphene
chemical vapor deposition
electronic structure
the first-principles calculations
Electron interactions and Dirac fermions in graphene-Ge2Sb2Te5 superlattices
期刊论文
http://dx.doi.org/10.1063/1.4884676, 2014
Sa, Baisheng
;
Sun, Zhimei
;
萨百晟
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/07/22
PHASE-CHANGE MATERIALS
HEXAGONAL BORON-NITRIDE
CHANGE MEMORY
DATA-STORAGE
GE2SB2TE5
GRAPHENE
HETEROSTRUCTURES
AMORPHIZATION
DIFFRACTION
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
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
Experimental and Theoretical Study on Palladium-Catalyzed C-P Bond Formation via Direct Coupling of Triarylbismuths with P(O)-H Compounds
期刊论文
http://dx.doi.org/10.1021/jo402392t, 2014
Wang, Tao
;
Sang, Shuai
;
Liu, Liu
;
Qiao, Hongwei
;
Gao, Yuxing
;
Zhao, Yufen
;
王涛
;
赵玉芬
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/07/22
MOLECULAR-ORBITAL METHODS
GAUSSIAN-TYPE BASIS
MULTICOUPLING ORGANOMETALLIC NUCLEOPHILES
POTENTIAL BASIS-SETS
PHOSPHINE OXIDES
ORGANOBISMUTH COMPOUNDS
POLARIZATION FUNCTIONS
ORGANIC-SYNTHESIS
MILD CONDITIONS
H-PHOSPHONATES
Cyclization Reactions of Anode-Generated Amidyl Radicals
期刊论文
http://dx.doi.org/10.1021/jo402623r, 2014
Xu, Hai-Chao
;
Campbell, John M.
;
Moeller, Kevin D.
;
徐海超
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
OLEFIN COUPLING REACTIONS
COPPER(I)-CATALYZED INTRAMOLECULAR ADDITION
MAIN-GROUP THERMOCHEMISTRY
SPONGE DYSIDEA-HERBACEA
N-CHLORO AMIDES
DOUBLE-BONDS
OXIDATIVE CYCLIZATION
NONCOVALENT INTERACTIONS
MICROBIAL METABOLITE
DENSITY FUNCTIONALS
Double Role of the Hydroxy Group of Phosphoryl in Palladium(II)-Catalyzed ortho-Olefination: A Combined Experimental and Theoretical Investigation
期刊论文
http://dx.doi.org/10.1021/jo402307x, 2014
Liu, Liu
;
Yuan, Hang
;
Fu, Tingting
;
Wang, Tao
;
Gao, Xiang
;
Zeng, Zhiping
;
Zhu, Jun
;
Zhao, Yufen
;
曾志平
;
朱军
;
赵玉芬
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/07/22
H BOND ACTIVATION
MOLECULAR-ORBITAL METHODS
CROSS-COUPLING REACTIONS
CATALYZED C-H
GAUSSIAN-TYPE BASIS
PROTON-ABSTRACTION MECHANISM
POTENTIAL BASIS-SETS
BENZOIC-ACIDS
POLARIZATION FUNCTIONS
ROOM-TEMPERATURE
Computational insight into the mechanism of nickel-catalyzed reductive carboxylation of styrenes using CO2
期刊论文
http://dx.doi.org/10.1021/om500962a, 2014
Yuan, Rumi
;
Lin, Zhenyang
;
袁汝明
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
Carboxylation
Catalysis
Hydrides
Nickel
Styrene
Theoretical prediction of the rate constants for exciton dissociation and charge recombination to a triplet state in pcpdtbt with different fullerene derivatives
期刊论文
http://dx.doi.org/10.1021/jp410562u, 2014
Leng, Can
;
Qin, Haimei
;
Si, Yubing
;
Zhao, Yi
;
赵仪
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2015/07/22
Charge transfer
Dissociation
Electronic structure
Heterojunctions
Rate constants
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