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Foundations of molecular modeling an...

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Foundations of molecular modeling and simulationselect papers from FOMMS 2015 /

Record Type:	Electronic resources : Monograph/item
Title/Author:	Foundations of molecular modeling and simulationedited by Randall Q. Snurr, Claire S. Adjiman, David A. Kofke.
Reminder of title:	select papers from FOMMS 2015 /
other author:	Snurr, Randall Q.
corporate name:
Published:	Singapore :Springer Singapore :2016.
Description:	xiv, 168 p. :ill. (some col.), digital ;24 cm.
Contained By:	Springer eBooks
Subject:	Molecular structureCongresses.Computer simulation
Online resource:	http://dx.doi.org/10.1007/978-981-10-1128-3
ISBN:	9789811011283$q(electronic bk.)

Foundations of molecular modeling and simulationselect papers from FOMMS 2015 /
Foundations of molecular modeling and simulationselect papers from FOMMS 2015 /[electronic resource] :edited by Randall Q. Snurr, Claire S. Adjiman, David A. Kofke. - Singapore :Springer Singapore :2016. - xiv, 168 p. :ill. (some col.), digital ;24 cm. - Molecular modeling and simulation, applications and perspectives,2364-5083. - Molecular modeling and simulation, applications and perspectives..

A Discontinuous-Potential Model for Protein-Protein Interactions -- Probing How Defects in Self-Assembled Monolayers Affect Peptide Adsorption with Molecular Simulation -- Development of a Coarse-Grained Water Forcefield Via Multistate Iterative Boltzmann Inversion -- Optimizing Molecular Models through Force Field Parameterization via the Efficient Combination of Modular Program Packages -- A Hierarchical, Component Based Approach to Screening Properties of Soft Matter -- Quantum Virial Coefficients via Path Integral Monte Carlo with Semi-Classical Beads -- Homogeneous Nucleation of [Dmim+][Cl-] from its Supercooled Liquid Phase: A Molecular Simulation Study -- Influence of the Precursor Composition and Reaction Conditions on Raney-Nickel Catalytic System -- Atomistic Modeling and Simulation at Solving Gas-Extraction Problems -- Atomistic Simulations of CO2 During "Trapdoor" Adsorption Onto Na-Rho Zeolite.

This book is a collection of select proceedings of the FOMMS 2015 conference. FOMMS 2015 is the sixth triennial FOMMS conference showcasing applications of theory of computational quantum chemistry, molecular science, and engineering simulation. The theme of the 2015 meeting focuses on Molecular Modeling and the Materials Genome.

ISBN: 9789811011283$q(electronic bk.)

Standard No.: 10.1007/978-981-10-1128-3doiSubjects--Topical Terms:

749686
Molecular structure
--Computer simulation--Congresses.

LC Class. No.: QD480

Dewey Class. No.: 539.12

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505 0 $a A Discontinuous-Potential Model for Protein-Protein Interactions -- Probing How Defects in Self-Assembled Monolayers Affect Peptide Adsorption with Molecular Simulation -- Development of a Coarse-Grained Water Forcefield Via Multistate Iterative Boltzmann Inversion -- Optimizing Molecular Models through Force Field Parameterization via the Efficient Combination of Modular Program Packages -- A Hierarchical, Component Based Approach to Screening Properties of Soft Matter -- Quantum Virial Coefficients via Path Integral Monte Carlo with Semi-Classical Beads -- Homogeneous Nucleation of [Dmim+][Cl-] from its Supercooled Liquid Phase: A Molecular Simulation Study -- Influence of the Precursor Composition and Reaction Conditions on Raney-Nickel Catalytic System -- Atomistic Modeling and Simulation at Solving Gas-Extraction Problems -- Atomistic Simulations of CO2 During "Trapdoor" Adsorption Onto Na-Rho Zeolite.
520 $a This book is a collection of select proceedings of the FOMMS 2015 conference. FOMMS 2015 is the sixth triennial FOMMS conference showcasing applications of theory of computational quantum chemistry, molecular science, and engineering simulation. The theme of the 2015 meeting focuses on Molecular Modeling and the Materials Genome.
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