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Foundations of molecular modeling and simulation[electronic resource] :select papers from FOMMS 2015 /

紀錄類型:	書目-電子資源 : Monograph/item
杜威分類號:	539.12
書名/作者:	Foundations of molecular modeling and simulation : select papers from FOMMS 2015 // edited by Randall Q. Snurr, Claire S. Adjiman, David A. Kofke.
其他作者:	Snurr, Randall Q.
團體作者:	Clark Conference
出版者:	Singapore : : Springer Singapore :, 2016.
面頁冊數:	xiv, 168 p. : : ill. (some col.), digital ;; 24 cm.
Contained By:	Springer eBooks
標題:	Molecular structure - Congresses. - Computer simulation
標題:	Molecules - Congresses. - Models
標題:	Chemistry.
標題:	Biochemical Engineering.
標題:	Appl.Mathematics/Computational Methods of Engineering.
標題:	Molecular Medicine.
標題:	Characterization and Evaluation of Materials.
ISBN:	9789811011283
ISBN:	9789811011269
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.
摘要、提要註:	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.
電子資源:	http://dx.doi.org/10.1007/978-981-10-1128-3

Foundations of molecular modeling and simulation[electronic resource] :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:

659731
Molecular structure
--Computer simulation--Congresses.

LC Class. No.: QD480

Dewey Class. No.: 539.12

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