相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。TRAVIS-A free analyzer for trajectories from molecular simulation
M. Brehm et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Understanding the Role of Hydrophobic Terminal in the Hydrogen Bond Network of the Aqueous Mixture of 2,2,2-Trifluoroethanol: IR, Molecular Dynamics, Quantum Chemical as Well as Atoms in Molecules Studies
Saptarsi Mondal et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2018)
The molecular rotational motion of liquid ethanol studied by ultrafast time resolved infrared spectroscopy
Gang-hua Deng et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2017)
Behaviour of aqueous N-methylacetamide solution in presence of ethanol and 2,2,2 tri-fluoroethanol: Hydrogen bonding structure and dynamics
Apramita Chand et al.
JOURNAL OF MOLECULAR LIQUIDS (2016)
Liquid Mixtures Involving Hydrogenated and Fluorinated Alcohols: Thermodynamics, Spectroscopy, and Simulation
Pedro Morgado et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2016)
Hydrogen bond dynamics in bulk alcohols
Keisuke Shinokita et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Characterization of the Local Structure in Liquid Water by Various Order Parameters
Elise Duboue-Dijon et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2015)
Hydrogen Bonding and Related Properties in Liquid Water: A Car-Parrinello Molecular Dynamics Simulation Study
Elvira Guardia et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2015)
Dynamics of Methanol in Ionic Liquids: Validity of the Stokes-Einstein and Stokes-Einstein-Debye Relations
Elisabeth Herold et al.
CHEMPHYSCHEM (2014)
Effects of methanol on the hydrogen bonding structure and dynamics in aqueous N-methylacetamide solution
Subrat Kumar Pattanayak et al.
JOURNAL OF MOLECULAR LIQUIDS (2014)
Effects of co-solutes on the hydrogen bonding structure and dynamics in aqueous N-methylacetamide solution: a molecular dynamics simulations study
Subrat Kumar Pattanayak et al.
MOLECULAR PHYSICS (2014)
Liquid Mixtures Involving Hydrogenated and Fluorinated Chains: (p, rho, T, x) Surface of (Ethanol plus 2,2,2-Trifluoroethanol), Experimental and Simulation
Pedro Duarte et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2013)
Pressure dependence on the single-particle dynamics and hydrogen-bond structural relaxation of water-DMSO mixtures under ambient and cold conditions
Snehasis Chowdhuri et al.
MOLECULAR PHYSICS (2013)
Effects of concentrated NaCl and KCl solutions on the behaviour of aqueous peptide bond environment: single-particle dynamics and H-bond structural relaxation
Subrat Kumar Pattanayak et al.
MOLECULAR PHYSICS (2013)
TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories
Martin Brehm et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)
Effect of Water on Solvation Structure and Dynamics of Ions in the Peptide Bond Environment: Importance of Hydrogen Bonding and Dynamics of the Solvents
Subrat Kumar Pattanayak et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2011)
Why Water Reorientation Slows without Iceberg Formation around Hydrophobic Solutes
Damien Laage et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2009)
The fluorous effect in proteins:: Properties of α4F6, a 4-α-helix bundle protein with a fluorocarbon core
Lindsey M. Gottler et al.
BIOCHEMISTRY (2008)
On the solvent role in alcohol-induced alpha-helix formation of chymotrypsin inhibitor 2
Koji Yoshida et al.
PURE AND APPLIED CHEMISTRY (2008)
Fluorine in pharmaceuticals:: Looking beyond intuition
Klaus Mueller et al.
SCIENCE (2007)
Thermodynamic properties of binary mixtures of 2,2,2-trifluoroethanol with water or alkanols at T=298.15 K
Takashi Minamihonoki et al.
THERMOCHIMICA ACTA (2007)
Hydrogen bonding definitions and dynamics in liquid water
R. Kumar et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Dynamics of halide ion-water hydrogen bonds in aqueous solutions: Dependence on ion size and temperature
Snehasis Chowdhuri et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2006)
The α-to-β conformational transition of Alzheimer's Aβ-(1-42) peptide in aqueous media is reversible:: A step by step conformational analysis suggests the location of β conformation seeding
S Tomaselli et al.
CHEMBIOCHEM (2006)
Alcohol tracer diffusion, density, NMR and FTIR studies of aqueous ethanol and 2,2,2-trifluoroethanol solutions at 25 °C (vol 94, pg 1963, 1998)
KR Harris et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
A molecular dynamics simulation study of hydrogen bonding in aqueous ionic solutions
E Guàrdia et al.
JOURNAL OF MOLECULAR LIQUIDS (2005)
Investigation of structure of liquid 2,2,2 trifluoroethanol:: Neutron diffraction, molecular dynamics, and ab initio quantum chemical study
I Bakó et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Densities and excess molar volumes of binary and ternary mixtures of aqueous solutions of 2,2,2-trifluoroethanol with acetone and alcohols at the temperature of 298.15 K and pressure of 101 kPa
Z Atik
JOURNAL OF SOLUTION CHEMISTRY (2004)
System-size dependence of diffusion coefficients and viscosities from molecular dynamics simulations with periodic boundary conditions
IC Yeh et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2004)
Fluorine in medicinal chemistry
HJ Böhm et al.
CHEMBIOCHEM (2004)
Pressure effects on the tracer diffusion and orientational relaxation of hydrogen bonding solutes in ambient and supercooled water
S Chowdhuri et al.
CHEMICAL PHYSICS LETTERS (2003)
Pressure effects on the dynamics and hydrogen bond properties of aqueous electrolyte solutions: The role of ion screening
A Chandra et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2002)
Dynamics in hydrogen bonded liquids:: water and alcohols
E Guàrdia et al.
JOURNAL OF MOLECULAR LIQUIDS (2002)
The shear viscosity of molecular fluids:: A calculation by reverse nonequilibrium molecular dynamics
P Bordat et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Hydrogen-bond kinetics in the solvation shell of a polypeptide
HF Xu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2001)
Femtosecond mid-infrared spectroscopy of aqueous solvation shells
MF Kropman et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Relationship between structural order and the anomalies of liquid water
JR Errington et al.
NATURE (2001)
Properties of 2,2,2-trifluoroethallol and water mixtures
R Chitra et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
A new 2,2,2-trifluoroethanol model for molecular dynamics simulations
M Fioroni et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2000)
Effects of ion atmosphere on hydrogen-bond dynamics in aqueous electrolyte solutions
A Chandra
PHYSICAL REVIEW LETTERS (2000)