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Molecular Mechanics & Modeling

This book focuses on the latest developments in molecular mechanics and modeling research. Included in this book are chapters reviewing the;

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Molecular Modeling of Inclusion Complexes

Herein the study of inclusion complex of methyl red and cyclodextrins (, and -CDs), were investigated using molecular modeling calculation;

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Chemical Modeling

; Applications of the Boltzmann Distribution; Modeling Simple Solids (II); Molecular Mechanics: Molecular Dynamics and Monte Carlo Techniques; The Ideal;

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Reviews in Computational Chemistry, Volume 9

A select group of scientists from around the world join in this volume to create unique chapters aimed at both the novice molecular modeler;

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Modeling of Nanotoxicity

noble metals, metal oxides, and quantum dots. The author illustrates how molecular (classical mechanics) and atomic (quantum mechanics) modeling;

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Reviews in Computational Chemistry, Volume 31

on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and;

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Reviews in Computational Chemistry

on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and;

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Reviews in Computational Chemistry

on topics centered around molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and;

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Molecular Modeling Basics

Molecular modeling is becoming an increasingly important part of chemical research and education as computers become faster and programs;

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Molecular Modeling Basics

Molecular modeling is becoming an increasingly important part of chemical research and education as computers become faster and programs;

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An Introduction to Mathematical Modeling

, quantum mechanics, and molecular dynamics Each part of the book concludes with exercise sets that allow readers to test their understanding of the;

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Foundations of Molecular Modeling and Simulation

This highly informative and carefully presented book comprises select proceedings of Foundation for Molecular Modelling and Simulation;

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Computational Nanotoxicology

, molecular mechanics, molecular dynamics), (ii) nanochemoinformatic methods (quantitative structure-activity relationship modeling, grouping, read;

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Mathematical Modeling and Applications in Nonlinear Dynamics

The book covers nonlinear physical problems and mathematical modeling, including molecular biology, genetics, neurosciences, artificial;

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Molecular Modeling of Inorganic Compounds

practice in molecular mechanics calculations and DFT. In addition, the tutorial with its interactive exercises has been completely revised and uses;

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Principles Of Molecular Mechanics

Principles of Molecular Mechanics Katsunosuke Machida Computational methods in chemistry have become increasingly important over recent;

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Molecular Mobility in Deforming Polymer Glasses

This book bridges disparate fields in an exploration of the phenomena and applications surrounding molecular mobility in glassy materials;

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Trends in Nanoscale Mechanics

, molecular dynamics, nanoscale modeling of nanocomposites and mechanics of carbon nanotubes. No other book provides reviews of recent discoveries;

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Mechanics of Particle and FiberReinforced Polymer Nanocomposites

simulations. The book describes the foundations of molecular dynamics and continuum mechanics methods, guides readers through the basic steps;

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Molecular Simulation Studies on Thermophysical Properties

This book discusses the fundamentals of molecular simulation, starting with the basics of statistical mechanics and providing introductions;

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Industrial Applications of Molecular Simulations

The field of quantum and molecular simulations has experienced strong growth since the time of the early software packages. A recent study;

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Industrial Applications of Molecular Simulations

The field of quantum and molecular simulations has experienced strong growth since the time of the early software packages. A recent study;

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Computational Medicinal Chemistry for Drug Discovery

Chemistry for Drug Discovery surveys molecular structure computation, intermolecular behavior, ligand-receptor interaction, and modeling responding;

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Reviews in Computational Chemistry, Volume 19

written to teach the newcomer and update the expert. Topics include computational chemistry, molecular modeling, computer-assisted molecular;

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Molecular Dynamics Simulation

Molecular Dynamic Simulation: Fundamentals and Applications explains the basic principles of MD simulation and explores its recent;

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Reviews in Computational Chemistry, Volume 2

, electrostatic potentials, electronic spectroscopy, molecular property correlations, and the computational chemistry literature. Methodologies described;

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Thermodynamics and Statistical Mechanics of Macromolecular Systems

finite-size and surface effects. Readers are introduced to molecular modeling approaches, advanced Monte Carlo simulation techniques, and;

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