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科研机构
厦门大学 [34]
内容类型
期刊论文 [32]
其他 [1]
学位论文 [1]
发表日期
2014 [3]
2013 [4]
2012 [1]
2011 [2]
2009 [2]
2008 [2]
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专题:厦门大学
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Hartree-Fock and density functional theory study of remote substituent effects on gas-phase heterolytic Fe-O and Fe-S bond energies of p-G-C6H4OFe(CO)(2)(eta(5)-C5H5) and p-G-C6H4SFe(CO)(2)(eta(5)-C5H5)
期刊论文
http://dx.doi.org/10.1002/poc.3252, 2014
Zeng, Qing
;
Li, Zucheng
;
Han, Daxiong
;
Dong, Ling
;
Zhai, Huaqiang
;
Liu, Bin
;
Bai, Genben
;
Zhang, Yujie
;
韩大雄
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2015/07/22
DISSOCIATION ENTHALPIES
ORGANOMETALLIC COMPOUNDS
THIOLATE COMPLEXES
C-H
PHOTOACOUSTIC CALORIMETRY
THEORETICAL APPROACH
MASS-SPECTROMETRY
BINDING-ENERGIES
METAL-COMPLEXES
PHENOXIDE IONS
Hartree-Fock and density functional theory study of remote substituent effects on gas-phase heterolytic Fe-O and Fe-S bond energies of p-G-C 6H4OFe(CO)2(η5-C 5H5) and p-G-C6H4SFe(CO) 2(η5-C5H5)
期刊论文
http://dx.doi.org/10.1002/poc.3252, 2014
Zeng, Qi
;
Li, Zucheng
;
Han, Daxiong
;
Dong, Ling
;
Zhai, Huaqiang
;
Liu, Bin
;
Bai, Genben
;
Zhang, Yujie
;
韩大雄
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/07/22
Bond strength (chemical)
Bromine
Carbon dioxide
Chlorine
Chlorine compounds
Density functional theory
Fluorine
Free energy
Organometallics
Quantum chemistry
Hybrid density functional investigations of Li2MSiO4 (M = Mn, Fe and Co) cathode materials
期刊论文
http://dx.doi.org/10.1016/j.commatsci.2013.10.041, 2014
Zhang, P.
;
Zheng, Y.
;
Wu, S. Q.
;
Zhu, Z. Z.
;
Yang, Y.
;
朱梓忠
;
杨勇
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
TOTAL-ENERGY CALCULATIONS
WAVE BASIS-SET
ELECTROCHEMICAL PERFORMANCE
LI2FESIO4
1ST-PRINCIPLES
INSULATORS
LIFEPO4
SPECTRA
Accurate prediction of nuclear magnetic resonance shielding constants: Towards the accuracy of CCSD(T) complete basis set limit
期刊论文
http://dx.doi.org/10.1063/1.4796485, 2013
Sun, Meng
;
Zhang, Igor Ying
;
Wu, Anan
;
Xu, Xin
;
吴安安
;
徐昕
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2015/07/22
CONSISTENT BASIS-SETS
CORRELATED MOLECULAR CALCULATIONS
SPIN-ROTATION CONSTANTS
COUPLED-CLUSTER SINGLES
AB-INITIO CALCULATIONS
NMR CHEMICAL-SHIFTS
GAUSSIAN-BASIS SETS
GAS-PHASE
CORRELATION-ENERGY
HARTREE-FOCK
Effect of tensor force on the shell structure of superheavy nuclei
其他
2013-01-01
Zhou, Xian-Rong
;
Sagawa, H.
;
周先荣
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  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
Protons
Tensors
Revisiting the hot matter in the center of gamma-ray bursts and supernovae
期刊论文
http://dx.doi.org/10.1051/0004-6361/201321705, 2013
Li, Ang
;
Liu, Tong
;
李昂
;
刘彤
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/07/22
NEUTRINO-DOMINATED ACCRETION
DUN GRAND NOMBRE
UN DEVELOPPEMENT
3-DIMENSIONAL SIMULATIONS
PROTONEUTRON STARS
VERTICAL STRUCTURE
JET PRECESSION
NUCLEAR-MATTER
3-BODY FORCE
BLACK-HOLES
Tensor force and shape evolution of Si isotopes in the Skyrme-Hartree-Fock model
期刊论文
http://dx.doi.org/10.1093/ptep/ptt039, 2013
Li, A.
;
Zhou, X. R.
;
Sagawa, H.
;
李昂
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/07/22
MEAN-FIELD CALCULATIONS
GROUND-STATE PROPERTIES
NUCLEI
MASSES
N=20
Spin-orbit coupling effect on Au-C-60 interaction: A density functional theory study
期刊论文
http://dx.doi.org/10.1016/j.chemphys.2011.06.013, 2012
Zeng, Qun
;
Chu, Xiang
;
Yang, Mingli
;
Wu, De-Yin
;
吴德印
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
ELECTRONIC-PROPERTIES
HYDROGEN ADSORPTION
C-60 FULLERENE
HARTREE-FOCK
BASIS-SETS
AB-INITIO
CLUSTERS
MOLECULES
APPROXIMATION
ELEMENTS
Electronic levels and electrical response of periodic molecular structures from plane-wave orbital-dependent calculations
期刊论文
http://dx.doi.org/10.1103/PhysRevB.84.155127, 2011
Li, Yanli
;
Dabo, Ismaila
;
李艳丽
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
DENSITY-FUNCTIONAL APPROXIMATIONS
TOTAL-ENERGY CALCULATIONS
LONG-RANGE INTERACTIONS
AB-INITIO
HARTREE-FOCK
BOUNDARY-CONDITIONS
EXACT EXCHANGE
SYSTEMS
CHAINS
POLARIZABILITIES
Hyperon stars at finite temperature in the Brueckner theory
期刊论文
http://dx.doi.org/10.1103/PhysRevC.83.025804, 2011
Burgio, G. F.
;
Schulze, H. J.
;
Li, A.
;
李昂
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2013/12/12
ROTATING PROTONEUTRON STARS
BETHE-GOLDSTONE THEORY
EQUATION-OF-STATE
DUN GRAND NOMBRE
NEUTRON-STARS
UN DEVELOPPEMENT
NUCLEAR-MATTER
3-BODY FORCES
PARTICULES
TRANSITION
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