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科研机构
厦门大学 [43]
内容类型
期刊论文 [39]
学位论文 [4]
发表日期
2014 [3]
2013 [6]
2012 [2]
2011 [2]
2009 [3]
2008 [3]
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专题:厦门大学
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On the Nature of Blueshifting Hydrogen Bonds
期刊论文
http://dx.doi.org/10.1002/chem.201402189, 2014
Mo, Yirong
;
Wang, Changwei
;
Guan, Liangyu
;
Braida, Benoit
;
Hiberty, Philippe C.
;
Wu, Wei
;
莫亦荣
;
吴玮
收藏
  |  
浏览/下载:121/0
  |  
提交时间:2015/07/22
CENTER-DOT-O
ENERGY DECOMPOSITION ANALYSIS
LOCALIZED MOLECULAR-ORBITALS
GROUP-FUNCTION APPROXIMATION
DENSITY-FUNCTIONAL THEORY
UNUSUAL INTENSITY CHANGES
INTERMOLECULAR INTERACTIONS
VIBRATIONAL SPECTROSCOPY
CHARGE-TRANSFER
POLYATOMIC SYSTEMS
How Solvent Influences the Anomeric Effect: Roles of Hyperconjugative versus Steric Interactions on the Conformational Preference
期刊论文
http://dx.doi.org/10.1021/jo402306e, 2014
Wang, Changwei
;
Ying, Fuming
;
Wu, Wei
;
Mo, Yirong
;
吴玮
;
莫亦荣
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2015/07/22
LOCALIZED MOLECULAR-ORBITALS
GROUP-FUNCTION APPROXIMATION
ADJACENT ELECTRON PAIRS
MECHANICS FORCE-FIELD
GAS-PHASE
INTERMOLECULAR INTERACTIONS
THEORETICAL-ANALYSIS
POLYATOMIC SYSTEMS
AQUEOUS-SOLUTION
SELF-CONSISTENT
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
Platinum nanoparticles functionalized with acetylene derivatives: Electronic conductivity and electrocatalytic activity in oxygen reduction
期刊论文
http://dx.doi.org/10.1016/j.jelechem.2012.07.009, 2013
Liu, Ke
;
Kang, Xiongwu
;
Zhou, Zhi-You
;
Song, Yang
;
Lee, Lyman J.
;
Tian, Daniel
;
Chen, Shaowei
;
周志有
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/07/22
RUTHENIUM NANOPARTICLES
INTERVALENCE TRANSFER
ENHANCEMENT
NANOTUBES
CHEMISTRY
SURFACES
CONTACTS
MOIETIES
BONDS
CO
Evaluation of Triplet Aromaticity by the Isomerization Stabilization Energy
期刊论文
http://dx.doi.org/10.1021/ol400908z, 2013
Zhu, Jun
;
An, Ke
;
Schleyer, Paul von Rague
;
朱军
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
INDEPENDENT CHEMICAL-SHIFTS
EXCITED-STATE AROMATICITY
ELECTRON DELOCALIZATION
ORGANIC-PHOTOCHEMISTRY
PI
ANTIAROMATICITY
DENSITY
CYCLOBUTADIENE
HYDROCARBONS
MONOCYCLES
Control of the Charge Distribution and Modulation of the Class II-III Transition in Weakly Coupled Mo-2-Mo-2 Systems
期刊论文
http://dx.doi.org/10.1021/ic4017855, 2013
Xiao, Xuan
;
Liu, Chun Y.
;
He, Qiao
;
Han, Mei Juan
;
Meng, Miao
;
Lei, Hao
;
Lu, Xin
;
何桥
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/07/22
CONNECTING DIMOLYBDENUM REDOX
ELECTRON-TRANSFER REACTIONS
MIXED-VALENCE
QUADRUPLE BONDS
CHROMOPHORIC CENTERS
RUTHENIUM AMMINES
MOLECULAR PAIR
COMPLEXES
UNITS
ENERGY
Remote substituent effects on gas-phase homolytic Fe-O and Fe-S bond energies of p-G-C6H4OFe(CO)2(η5- C5H5) and p-G-C6H4SFe(CO) 2(η5-C5H5) studied using Hartree-Fock and density functional theory methods
期刊论文
http://dx.doi.org/10.1002/poc.3152, 2013
Zeng, Qi
;
Li, Zucheng
;
Dong, Ling
;
Han, Daxiong
;
Wang, Rufeng
;
Li, Xiangri
;
Bai, Genben
;
韩大雄
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/07/22
Bond strength (chemical)
Carbon dioxide
Density functional theory
Design for testability
Molecular physics
Organometallics
Remote substituent effects on gas-phase homolytic Fe-O and Fe-S bond energies of p-G-C6H4OFe(CO)2(5-C5H5) and p-G-C6H4SFe(CO)2(5-C5H5) studied using Hartree-Fock and density functional theory methods
期刊论文
http://dx.doi.org/10.1002/poc.3152, 2013
Zeng, Qing
;
Li, Zucheng
;
Dong, Ling
;
Han, Daxiong
;
Wang, Rufeng
;
Li, Xiangri
;
Bai, Genben
;
韩大雄
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
DISSOCIATION-ENERGIES
C-H
ORGANOMETALLIC COMPOUNDS
SPIN-DELOCALIZATION
THIOLATE COMPLEXES
PHENOXYL RADICALS
BINDING-ENERGIES
METAL-LIGAND
N-H
PARASUBSTITUTED PHENOLS
国际商事仲裁程序“非国内化”研究
学位论文
2013, 2013
张美红
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2016/01/13
国际商事仲裁
仲裁程序
非国内化
样态
International Commercial Arbitration
Arbitral Procedure
Temperature-dependent exciton luminescence from an Au-nanopattern-coated ZnCdO film
期刊论文
2012
Yang, W. F.
;
Xie, Y. N.
;
Pan, Z. Y.
;
Hong, M. H.
;
Wu, Z. Y.
;
吴正云
;
Wong, L. M.
;
Wang, S. J.
;
Wang, C. F.
;
Lee, Alex Y. S.
;
Gong, H.
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2013/03/12
QUANTUM-WELLS
ZNO
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