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科研机构
北京大学 [30]
内容类型
期刊论文 [24]
其他 [6]
发表日期
2015 [4]
2014 [2]
2013 [1]
2011 [2]
2009 [4]
2008 [1]
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专题:北京大学
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Folding Thermodynamics and Mechanism of Five Trp-Cage Variants from Replica-Exchange MD Simulations with RSFF2 Force Field
期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2015
Zhou, Chen-Yang
;
Jiang, Fan
;
Wu, Yun-Dong
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
MOLECULAR-DYNAMICS SIMULATIONS
FREE-ENERGY LANDSCAPE
EXPLICIT SOLVENT
UNFOLDED STATE
MINI-PROTEIN
MINIPROTEIN
WATER
INTERMEDIATE
RESOLUTION
PEPTIDES
Pyrolysis mechanism of beta-O-4 type lignin model dimer
期刊论文
JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 2015
Chen, Lei
;
Ye, Xiaoning
;
Luo, Feixian
;
Shao, Jingai
;
Lu, Qiang
;
Fang, Yang
;
Wang, Xianhua
;
Chen, Hanping
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/12/03
Lignin dimer
Py-GC/MS
Density functional theory
Pyrolysis mechanism
PHENETHYL PHENYL ETHERS
BOND-DISSOCIATION ENTHALPIES
CLEAVAGE MECHANISMS
METAL-OXIDES
CELLULOSE
LINKAGES
POLYMERS
GUAIACOL
BIOMASS
Residue-Specific Force Field Based on Protein Coil Library. RSFF2: Modification of AMBER ff99SB
期刊论文
journal of physical chemistry b, 2015
Zhou, Chen-Yang
;
Jiang, Fan
;
Wu, Yun-Dong
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/11/10
MOLECULAR-DYNAMICS SIMULATIONS
BETA-HAIRPIN FORMATION
PARTICLE MESH EWALD
FOLDING SIMULATIONS
AMINO-ACIDS
SIDE-CHAIN
ALANINE RESIDUES
UNFOLDED STATE
HELIX
PEPTIDES
Thermodynamic modeling of electrolyte solutions by a hybrid ion-interaction and solvation (HIS) model
期刊论文
2015
Ge, Xinlei
;
Wang, Junfeng
;
Zhang, Zuotai
;
Wang, Xidong
;
Chen, Mindong
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/11/11
Electrolyte solutions
Phase equilibrium
Thermodynamic properties
Activity coefficient
MEAN SPHERICAL APPROXIMATION
LOCAL COMPOSITION MODEL
TEMPERATURE 298.15 K
ADSORPTION-ISOTHERM MODEL
MODIFIED PITZER EQUATION
SOLID-LIQUID EQUILIBRIA
EXCESS GIBBS ENERGY
EMMETT-TELLER BET
3-CHARACTERISTIC-PARAMETER CORRELATION MODEL
MODIFIED BROMLEYS METHODOLOGY
Thermodynamic investigation on beta- and gamma-Ca-3(PO4)(2) and the phase equilibria
期刊论文
physics of the earth and planetary interiors, 2014
Zhai, Shuangmeng
;
Akaogi, Masaki
;
Kojitani, Hiroshi
;
Xue, Weihong
;
Ito, Eiji
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/11/10
Ca-3(PO4)(2)
Tuite
Whitlockite
Thermodynamic property
Phase boundary
FERRITE-TYPE MGAL2O4
TRICALCIUM PHOSPHATE
HIGH-TEMPERATURE
HEAT-CAPACITY
LATTICE-VIBRATIONS
HIGH-PRESSURE
RAMAN-SPECTROSCOPY
DENSE POLYMORPH
SHOCK VEINS
METEORITE
Phase transitions and energy storage properties of some compositions in the (1-x)Li2SO4-xNa(2)SO(4) system
期刊论文
phase transitions, 2014
Chen, Bo
;
Liu, Tian-Hui
;
Jiao, Huan
;
Jing, Xi-Ping
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/10
phase transition
energy storage
(1-x)Li2SO4-xNa(2)SO(4) system
eutectoid
X-RAY
LI2SO4-NA2SO4
TEMPERATURE
SULFATE
CRYSTAL
LINASO4
NA2SO4
Calculations of Freezing Point Depression, Boiling Point Elevation, Vapor Pressure and Enthalpies of Vaporization of Electrolyte Solutions by a Modified Three-Characteristic Parameter Correlation Model (vol 38, pg 1097, 2009)
期刊论文
journal of solution chemistry, 2013
Ge, Xinlei
;
Wang, Xidong
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/11
聚苯乙烯-b-聚2(5)-乙烯基对(间)苯二甲酸二钠嵌段共聚物的合成及其对PET结晶行为的影响
期刊论文
高分子学报, 2011
徐一丁
;
沈志豪
;
范星河
;
周其凤
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/10/24
PET
PET
Nucleating agents
Block copolymers
成核剂
嵌段共聚物
Preparation and characterization of polyethylene glycol/active carbon composites as shape-stabilized phase change materials
期刊论文
solar energy materials and solar cells, 2011
Feng, Lili
;
Zheng, Jie
;
Yang, Huazhe
;
Guo, Yanli
;
Li, Wei
;
Li, Xingguo
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/11/10
Shape-stabilized phase change materials
Mesoporous active carbon
Polyethylene glycol
DIFFERENTIAL THERMAL ANALYSIS
HEAT-STORAGE MATERIAL
ACTIVE-CARBON
ENERGY-STORAGE
WATER-PURIFICATION
SILICA
TEMPERATURE
SEPARATION
COPOLYMER
CATALYST
Calculations of Freezing Point Depression, Boiling Point Elevation, Vapor Pressure and Enthalpies of Vaporization of Electrolyte Solutions by a Modified Three-Characteristic Parameter Correlation Model
期刊论文
journal of solution chemistry, 2009
Ge, Xinlei
;
Wang, Xidong
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2015/11/12
Electrolyte solutions
Freezing point
Boiling point
Enthalpy of vaporization
SATURATED AQUEOUS-SOLUTIONS
CHEMICAL-EQUILIBRIUM MODEL
LOCAL COMPOSITION MODEL
EXCESS GIBBS ENERGY
MODIFIED TCPC MODEL
THERMODYNAMIC PROPERTIES
OSMOTIC COEFFICIENTS
LITHIUM-CHLORIDE
MOLAR ENTHALPIES
SODIUM-CHLORIDE
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