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科研机构
厦门大学 [34]
内容类型
期刊论文 [33]
其他 [1]
发表日期
2014 [5]
2013 [4]
2012 [3]
2011 [3]
2010 [3]
2008 [2]
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专题:厦门大学
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Perturbative Treatment of Anharmonic Vibrational Effects on Bond Distances: An Extended Langevin Dynamics Method
期刊论文
http://dx.doi.org/10.1002/jcc.23516, 2014
Shen, Tonghao
;
Su, Neil Qiang
;
Wu, Anan
;
Xu, Xin
;
吴安安
;
徐昕
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  |  
浏览/下载:4/0
  |  
提交时间:2015/07/22
SELF-CONSISTENT-FIELD
CLASSICAL TRAJECTORY SIMULATIONS
DENSITY-FUNCTIONAL THEORY
ZERO-POINT ENERGY
MOLECULAR EQUILIBRIUM STRUCTURES
MAGNETIC SHIELDING CONSTANTS
COUPLED-CLUSTER THEORY
PATH CENTROID DENSITY
MP2 GRADIENT-METHOD
AB-INITIO
The V state of ethylene: valence bond theory takes up the challenge
期刊论文
http://dx.doi.org/10.1007/s00214-013-1441-x, 2014
Wu, Wei
;
Zhang, Huaiyu
;
Braida, Benoit
;
Shaik, Sason
;
Hiberty, Philippe C.
;
吴玮
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  |  
浏览/下载:15/0
  |  
提交时间:2015/07/22
VERTICAL EXCITATION-ENERGIES
COUPLED-CLUSTER CALCULATIONS
EXCITED-STATES
CONFIGURATION-INTERACTION
WAVE-FUNCTIONS
DYNAMIC CORRELATION
BREATHING ORBITALS
BASIS-SETS
PI
ASTERISK
Copper Response of Proteus hauseri Based on Proteomic and Genetic Expression and Cell Morphology Analyses
期刊论文
http://dx.doi.org/10.1007/s12010-014-0892-4, 2014
Ng, I-Son
;
Zheng, Xuesong
;
Wang, Nan
;
Chen, Bor-Yann
;
Zhang, Xia
;
Lu, Yinghua
;
张霞
;
卢英华
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  |  
浏览/下载:5/0
  |  
提交时间:2015/07/22
URINARY-TRACT-INFECTION
P-TYPE ATPASE
ESCHERICHIA-COLI
PHOSPHORYL TRANSFER
MIRABILIS
FERROOXIDANS
TOLERANCE
MOTILITY
DECOLORIZATION
IDENTIFICATION
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
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  |  
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
Event-triggered control for cluster synchronization of linearly coupled complex networks
其他
2014-01-01
Jing, Jingjing
;
Chen, Fei
;
Xiang, Linying
;
陈飞
;
项林英
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2015/07/22
Algorithms
Synchronization
A phosphorescent silver(I)-gold (I) cluster complex that specifically lights up the nucleolus of living cells with FLIM imaging
期刊论文
http://dx.doi.org/10.1016/j.biomaterials.2013.02.032, 2013
Chen, Min
;
Lei, Zhen
;
Feng, Wei
;
Li, Chunyan
;
Wang, Quan-Ming
;
Li, Fuyou
;
陈敏
;
王泉明
;
李春园
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  |  
浏览/下载:3/0
  |  
提交时间:2015/07/22
ORGANIZER REGIONS
OPTICAL PROBES
LIVE CELLS
MECHANISM
IRIDIUM(III)
MICROSCOPY
PROTEINS
CYCLE
Molybdate templated assembly of Ln(12)Mo(4)-type clusters (Ln = Sm, Eu, Gd) containing a truncated tetrahedron core
期刊论文
http://dx.doi.org/10.1039/c2cc36530h, 2013
Zheng, Yong
;
Zhang, Qian-Chong
;
Long, La-Sheng
;
Huang, Rong-Bin
;
Mueller, Achim
;
Schnack, Juergen
;
Zheng, Lan-Sun
;
Zheng, Zhiping
;
郑兰荪
;
龙腊生
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2013/12/12
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
Nonorthogonal orbital based N-body reduced density matrices and their applications to valence bond theory I Hamiltonian matrix elements between internally contracted excited valence bond wave functions
期刊论文
http://dx.doi.org/10.1063/1.4801631, 2013
Chen, Zhenhua
;
Chen, Xun
;
Wu, Wei
;
吴玮
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/07/22
COUPLED-CLUSTER THEORY
CONFIGURATION-INTERACTION METHOD
2ND-ORDER PERTURBATION-THEORY
ELECTRON CORRELATION-PROBLEM
FREE QUANTUM CHEMISTRY
EFFICIENT ALGORITHM
REFERENCE STATE
AB-INITIO
DYNAMIC CORRELATION
MOLECULAR-SYSTEMS
Low-lying electronic states and their nonradiative deactivation of thieno[3,4-b]pyrazine: An ab initio study
期刊论文
http://dx.doi.org/10.1063/1.4770229, 2012
Guo, Xugeng
;
Cao, Zexing
;
曹泽星
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  |  
浏览/下载:9/0
  |  
提交时间:2013/12/12
MULTIREFERENCE PERTURBATION-THEORY
REFERENCE WAVE-FUNCTIONS
SOLAR-CELLS
DENSITY
POLYMERS
PROGRAM
PHOTODYNAMICS
SIMULATION
COPOLYMERS
MOLECULES
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