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Foundations of molecular modeling an...

Snurr, Randall Q.

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Foundations of molecular modeling and simulation = select papers from FOMMS 2015 /

紀錄類型:	書目-電子資源 : Monograph/item
正題名/作者:	Foundations of molecular modeling and simulation/ edited by Randall Q. Snurr, Claire S. Adjiman, David A. Kofke.
其他題名:	select papers from FOMMS 2015 /
其他作者:	Snurr, Randall Q.
出版者:	Singapore :Springer Singapore : : 2016.,
面頁冊數:	xiv, 168 p. :ill. (some col.), digital ;24 cm.
內容註:	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.
Contained By:	Springer eBooks
標題:	Molecular structure - Congresses. - Computer simulation -
電子資源:	http://dx.doi.org/10.1007/978-981-10-1128-3
ISBN:	9789811011283

Foundations of molecular modeling and simulation = select 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

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

2199686
Molecular structure
--Computer simulation--Congresses.

LC Class. No.: QD480

Dewey Class. No.: 539.12

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