4.7 Article

Shear viscosity prediction of alcohols, hydrocarbons, halogenated, carbonyl, nitrogen-containing, and sulfur compounds using the variable force fields

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。
Article Biochemistry & Molecular Biology

Developing Computational Model to Predict Protein-Protein Interaction Sites Based on the XGBoost Algorithm

Aijun Deng et al.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2020)

Article Chemistry, Physical

TRAVIS-A free analyzer for trajectories from molecular simulation

M. Brehm et al.

JOURNAL OF CHEMICAL PHYSICS (2020)

Article Chemistry, Physical

Unraveling the viscosity impact on volumetric transfer in redox flow batteries

Yuxi Song et al.

JOURNAL OF POWER SOURCES (2020)

Review Chemistry, Multidisciplinary

Molecular Dynamics Simulations of Membrane Permeability

Richard M. Venable et al.

CHEMICAL REVIEWS (2019)

Review Chemistry, Multidisciplinary

Molecular Dynamics Simulations of Ionic Liquids and Electrolytes Using Polarizable Force Fields

Dmitry Bedrov et al.

CHEMICAL REVIEWS (2019)

Article Multidisciplinary Sciences

All-polymer particulate slurry batteries

Wen Yan et al.

NATURE COMMUNICATIONS (2019)

Article Multidisciplinary Sciences

HIV-1 tropism prediction by the XGboost and HMM methods

Xiang Chen et al.

SCIENTIFIC REPORTS (2019)

Review Engineering, Chemical

Review of Viscosity Modifier Lubricant Additives

Ashlie Martini et al.

TRIBOLOGY LETTERS (2018)

Article Chemistry, Physical

Polarizable Force Fields Based on Physical Models and Quantum Chemical Calculations

Xingyong Wang et al.

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2015)

Review Chemistry, Multidisciplinary

Generalized Energy-Based Fragmentation Approach and Its Applications to Macromolecules and Molecular Aggregates

Shuhua Li et al.

ACCOUNTS OF CHEMICAL RESEARCH (2014)

Article Chemistry, Physical

Polarizable Atomic Multipole-Based AMOEBA Force Field for Proteins

Yue Shi et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2013)

Article Energy & Fuels

Prediction of Density and Viscosity of Biofuel Compounds Using Machine Learning Methods

Diego Alonso Saldana et al.

ENERGY & FUELS (2012)

Article Chemistry, Medicinal

TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics Trajectories

Martin Brehm et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2011)

Article Chemistry, Physical

Polarizable Atomic Multipole-Based Molecular Mechanics for Organic Molecules

Pengyu Ren et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2011)

Article Chemistry, Physical

Current Status of the AMOEBA Polarizable Force Field

Jay W. Ponder et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2010)

Article Engineering, Chemical

Expanded Fluid-Based Viscosity Correlation for Hydrocarbons

H. W. Yarranton et al.

INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH (2009)

Article Chemistry, Physical

Energy decomposition analysis of covalent bonds and intermolecular interactions

Peifeng Su et al.

JOURNAL OF CHEMICAL PHYSICS (2009)

Article Chemistry, Multidisciplinary

PACKMOL: A Package for Building Initial Configurations for Molecular Dynamics Simulations

L. Martinez et al.

JOURNAL OF COMPUTATIONAL CHEMISTRY (2009)

Article Thermodynamics

Prediction of shear viscosities using periodic perturbation method and OPLS force field

Lifeng Zhao et al.

FLUID PHASE EQUILIBRIA (2007)

Article Chemistry, Physical

Design of a next generation force field: The X-POL potential

Wangshen Xie et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2007)

Article Chemistry, Physical

Canonical sampling through velocity rescaling

Giovanni Bussi et al.

JOURNAL OF CHEMICAL PHYSICS (2007)

Article Engineering, Chemical

Membrane air-stripping of aroma compounds

F. Gascons Viladomat et al.

JOURNAL OF MEMBRANE SCIENCE (2006)

Review Chemistry, Multidisciplinary

Molecular dynamics: Survey of methods for simulating the activity of proteins

Stewart A. Adcock et al.

CHEMICAL REVIEWS (2006)

Article Multidisciplinary Sciences

Potential energy functions for atomic-level simulations of water and organic and biomolecular systems

WL Jorgensen et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)

Article Thermodynamics

Viscosity modeling and prediction of reservoir fluids:: From natural gas to heavy oils

SE Quiñones-Cisneros et al.

INTERNATIONAL JOURNAL OF THERMOPHYSICS (2004)

Article Chemistry, Physical

A simple polarizable model of water based on classical Drude oscillators

G Lamoureux et al.

JOURNAL OF CHEMICAL PHYSICS (2003)

Article Biochemistry & Molecular Biology

An improved hydrogen bond potential: Impact on medium resolution protein structures

F Fabiola et al.

PROTEIN SCIENCE (2002)

Article Biochemistry & Molecular Biology

Geometric criteria of hydrogen bonds in proteins and identification of 'bifurcated' hydrogen bonds

IY Torshin et al.

PROTEIN ENGINEERING (2002)

Article Chemistry, Physical

Determining the shear viscosity of model liquids from molecular dynamics simulations

B Hess

JOURNAL OF CHEMICAL PHYSICS (2002)

Article Chemistry, Multidisciplinary

Prediction of surface tension, viscosity, and thermal conductivity for common organic solvents using quantitative structure-property relationships

GW Kauffman et al.

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2001)