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1-10 of 100 results for Calculations of the molecular interaction energy

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Select article: The Power of Spectroscopic Methods in the Determination of the Relative Orientation of Guest Molecules in a Stretched Polyethylene (PE) Matrix

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Research article

First published 1985-11

The Power of Spectroscopic Methods in the Determination of the Relative Orientation of Guest Molecules in a Stretched Polyethylene (PE) Matrix

Joanna Konwerska-Hrabowska

Applied Spectroscopy

Select article: Theoretical study of Schiff base compounds as antiwear lubricant additives: A quantum chemical calculation approach

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First published 2014-2

Theoretical study of Schiff base compounds as antiwear lubricant additives: A quantum chemical calculation approach

Rashmi B Rastogi, Vinay Jaiswal, Jiya L Maurya

Proceedings of the Institution of Mechanical Engineers,Part J: Journal of Engineering Tribology

Select article: Endothelial Cell Adhesion Force Estimation at the Nanoscale

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First published 2005-1

Endothelial Cell Adhesion Force Estimation at the Nanoscale

S. Mantero, D. Piuri, S. Vesentini [...]

Journal of Applied Biomaterials & Functional Materials

Select article: Characterizing Mechanical Properties of Particulate Nanocomposites Using Micromechanical Approach

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First published 2008-11

Characterizing Mechanical Properties of Particulate Nanocomposites Using Micromechanical Approach

Jia-Lin Tsai, Shi-Hua Tzeng

Journal of Composite Materials

Select article: A Computational Study on the Blocking Ability of Selected Commercially Available Anticancer Drugs and Their Hypothetic Derivatives on the CCR5

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First published 2018-07

A Computational Study on the Blocking Ability of Selected Commercially Available Anticancer Drugs and Their Hypothetic Derivatives on the CCR5

Rahim Ghadari, Yousef Mohammadzadeh

ASSAY and Drug Development Technologies

Select article: Molecular interactions of indomethacin and amino acids: Computational approach

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Research article

First published 2022-07-12

Molecular interactions of indomethacin and amino acids: Computational approach

Ali Parkan, Mahmoud Mirzaei, Naser Tavakoli [...]

Main Group Chemistry

Select article: A Novel Algorithm for Non-Bonded-List Updating in Molecular Simulations

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First published 2006-6

A Novel Algorithm for Non-Bonded-List Updating in Molecular Simulations

Tatiana Maximova, Chen Keasar

Journal of Computational Biology

Select article: Multi-Scale Analysis of the Toraymyxin Adsorption Cartridge Part I: Molecular Interaction of Polymyxin B with Endotoxins

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First published 2006-2

Multi-Scale Analysis of the Toraymyxin Adsorption Cartridge Part I: Molecular Interaction of Polymyxin B with Endotoxins

S. Vesentini, M. Soncini, A. Zaupa [...]

The International Journal of Artificial Organs

Select article: Understanding the self-polymerization mechanism of dopamine by molecular simulation and applying dopamine surface modification to improve the interfacial adhesion of polyimide fibers with epoxy resin matrix

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Review article

First published 2021-8

Understanding the self-polymerization mechanism of dopamine by molecular simulation and applying dopamine surface modification to improve the interfacial adhesion of polyimide fibers with epoxy resin matrix

Xiaojun Hu, Ying Ke, Mengying Zhang [...]

High Performance Polymers

Select article: Ab Initio Study of Solvent Effects on Rate of 1,3-Dipolar Cycloadditions of Benzonitrile Oxide and Various Dipolarophiles

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Other

First published 2003-1

Ab Initio Study of Solvent Effects on Rate of 1,3-Dipolar Cycloadditions of Benzonitrile Oxide and Various Dipolarophiles

E. Rajaeian, M. Monajjemi, M.R. Gholami

Journal of Chemical Research

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