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科研机构
北京大学 [14]
内容类型
期刊论文 [14]
发表日期
2017 [2]
2016 [1]
2013 [2]
2010 [1]
2009 [2]
2007 [2]
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专题:北京大学
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Emergence of Solvent-Separated Na+-Cl- Ion Pair in Salt Water: Photoelectron Spectroscopy and Theoretical Calculations
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2017
Hou, Gao-Lei
;
Liu, Cheng-Wen
;
Li, Ren-Zhong
;
Xu, Hong-Guang
;
Gao, Yi Qin
;
Zheng, Wei-Jun
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/12/03
AB-INITIO CALCULATIONS
MONTE-CARLO-SIMULATION
SODIUM-CHLORIDE
ALKALI-HALIDES
DISSOLVING MECHANISM
MOLECULAR-DYNAMICS
CHARGE SEPARATION
AQUEOUS-SOLUTIONS
INFRARED-SPECTRA
BASIS-SETS
Odd Even Effect of Thiophene Chain Lengths on Excited State Properties in Oligo(thienyl ethynylene)-Cored Chromophores
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY C, 2017
Wang, Xian
;
He, Guiying
;
Li, Yang
;
Kuang, Zhuoran
;
Guo, Qianjin
;
Wang, Jin-Liang
;
Pei, Jian
;
Xia, Andong
收藏
  |  
浏览/下载:101/0
  |  
提交时间:2017/12/03
INTRAMOLECULAR CHARGE-TRANSFER
POLARIZABLE CONTINUUM MODEL
PHOTOPHYSICAL PROPERTIES
SOLVATION DYNAMICS
FEMTOSECOND SPECTROSCOPY
CONJUGATED POLYMERS
MOLECULAR-OXYGEN
SINGLET-STATE
SOLAR-CELLS
FLUORESCENCE
Solvation structure around the Li+ ion in succinonitrile-lithium salt plastic crystalline electrolytes
期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2016
Shen, Yuneng
;
Deng, Gang-Hua
;
Ge, Chuanqi
;
Tian, Yuhuan
;
Wu, Guorong
;
Yang, Xueming
;
Zheng, Junrong
;
Yuan, Kaijun
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
VIBRATIONAL-ENERGY
AQUEOUS-SOLUTIONS
SPECTROSCOPY
LIQUID
PHASE
SCATTERING
BATTERIES
SPECTRA
Microsolvation of LiI and CsI in Water: Anion Photoelectron Spectroscopy and ab initio Calculations
期刊论文
journal of the american chemical society, 2013
Li, Ren-Zhong
;
Liu, Cheng-Wen
;
Gao, Yi Qin
;
Jiang, Hong
;
Xu, Hong-Guang
;
Zheng, Wei-Jun
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/11
NAI(H2O)(N) PHOTODISSOCIATION DYNAMICS
CHLORIDE ION-PAIR
SODIUM-CHLORIDE
ALKALI-HALIDES
DISSOLVING MECHANISM
ELECTRON-AFFINITIES
INFRARED-SPECTRA
SEA-SALT
CLUSTERS
HYDRATION
Ion cooperativity and the effect of salts on polypeptide structure - a molecular dynamics study of BBA5 in salt solutions
期刊论文
法拉第论坛, 2013
Xie, Wen Jun
;
Gao, Yi Qin
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/10
HOFMEISTER SERIES
PROTEIN STABILITY
PREFERENTIAL INTERACTIONS
AQUEOUS-SOLUTIONS
SURFACE-TENSION
WATER
ANIONS
SOLVATION
HYDRATION
MODEL
Temperature Dependence of Hydrogen-Bond Stability in beta-Hairpin Structures
期刊论文
journal of chemical theory and computation, 2010
Shao, Qiang
;
Gao, Yi Qin
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  |  
浏览/下载:4/0
  |  
提交时间:2015/11/10
FREE-ENERGY LANDSCAPE
MOLECULAR-DYNAMICS SIMULATION
GENERALIZED BORN MODEL
C-TERMINAL FRAGMENT
PROTEIN-G
IMPLICIT SOLVATION
EXPLICIT WATER
B1 DOMAIN
DISORDERED CONFORMATIONS
FOLDING MECHANISM
Parameterization and Validation of Solvation Corrected Atomic Radii
期刊论文
journal of physical chemistry a, 2009
Zuo, Chun-Shan
;
Wiest, Olaf
;
Wu, Yun-Dong
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/10
POLARIZABLE CONTINUUM MODEL
TRANSITION-METAL-COMPLEXES
COLLISION-INDUCED DISSOCIATION
DIMETHYL-SULFOXIDE SOLUTIONS
GIBBS FREE-ENERGY
ANISOTROPIC DIELECTRICS
ELECTRONIC-STRUCTURES
NONAQUEOUS SOLUTIONS
MAGNETIC-PROPERTIES
MOLECULAR-DYNAMICS
An Excellent Fluorescent Dye with a Twistable Aromatic Chain and Its Axially Chiral Crystals
期刊论文
journal of physical chemistry a, 2009
Ma, Yan
;
Hao, Rui
;
Shao, Guangsheng
;
Wang, Yuan
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2015/11/10
INTRAMOLECULAR CHARGE-TRANSFER
SOLVATION DYNAMICS
2-PHOTON-SENSITIZED LUMINESCENCE
PHOTOPHYSICAL PROPERTIES
MOLECULAR-STRUCTURE
ORGANIC-MOLECULES
STATE
RESOLUTION
DERIVATIVES
SPECTRA
Molecular dynamics studies of hexamers of amyloid-beta peptide (16-35) and its mutants: Influence of charge states on amyloid formation
期刊论文
proteins structure function and bioinformatics, 2007
Han, Wei
;
Wu, Yun-Dong
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/11/12
molecular dynamics
amyloid-beta peptide
oligomer
mutation
Alzheimer&apos
ATOMIC-FORCE MICROSCOPY
BETA-PROTEIN OLIGOMERIZATION
ALZHEIMERS-DISEASE
EXPERIMENTAL CONSTRAINTS
SHEET FORMATION
WATER MODELS
SALT BRIDGES
IN-SILICO
PEPTIDE
FIBRILS
s disease
Coarse-grained protein model coupled with a coarse-grained water model: Molecular dynamics study of polyalanine-based peptides
期刊论文
journal of chemical theory and computation, 2007
Han, Wei
;
Wu, Yun-Dong
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/11/16
HELIX-COIL TRANSITION
FREE-ENERGY
ALPHA-HELIX
ALANINE PEPTIDE
AMINO-ACIDS
GLOBULAR-PROTEINS
FOLDING DYNAMICS
SOLVENT WATER
FORCE-FIELD
SIDE-CHAINS
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