عنوان

Multiscale molecular methods in applied chemistry /

(Number (ISBN

364224968X (electronic bk.)

(Number (ISBN

9783642249686 (electronic bk.)

Erroneous ISBN

3642249671

Erroneous ISBN

9783642249679

Number

b512684

Title Proper

Multiscale molecular methods in applied chemistry /

General Material Designation

[Book]

First Statement of Responsibility

volume editors, Barbara Kirchner, Jadran Vrabec ; with contributions by R. Abrol ... [et al.].

Place of Publication, Distribution, etc.

New York :

Name of Publisher, Distributor, etc.

Springer,

Date of Publication, Distribution, etc.

[2012]

Date of Publication, Distribution, etc.

©2012

Specific Material Designation and Extent of Item

1 online resource (xii, 326 pages) :

Other Physical Details

illustrations (chiefly color).

Series Title

Topics in current chemistry,

Volume Designation

307

ISSN of Series

1436-5049 ;

Text of Note

Includes bibliographical references and index

Text of Note

First-principles-based multiscale, multiparadigam molecular mechanics and dynamics methods for describing complex chemical processes / Andres Jaramillo-Botero, Robert Nielsen, Ravi Abrol, Julis Su, Tod Pascal, Jonathan Mueller, and William A. Goddard III -- Dynamic QM/MM: a hybrid approach to simulating gas-liquid interactions / Scott Yockel and George C. Schatz -- Multiscale modelling in computational heterogeneous catalysis / F.J. Keil -- Real-world predictions from ab initio molecular dynamics simulations / Barbara Kirchner, Philipp J. di Dio, and Jürg Hutter -- Nanoscale wetting under electric field from molecular simulations / Christopher D. Daub, Dusan Bratko, and Alenka Luzar -- Molecular simulations of retention in chromatographic systems: use of biased Monte Carlo techniques to access multiple time and length scales / Jake L. Rafferty, J. Ilja Siepmann, and Mark R. Schure -- Thermodynamic properties for applications in chemical industry via classical force fields / Gabriela Guevara-Carrion, Hans Hasse, and Jadan Vrabec -- Multiscale approaches and perspectives to modeling aqueous electrolytes and polyelectrolytes / Luigi Delle Site, Christian Holm, and Nico F.A. van der Vegt -- Coarse-grained modeling for macromolecular chemistry / Hossein Ali Karimi-Varzaneh and Florian Müller-Plathe

0

Title

Multiscale molecular methods in applied chemistry.

International Standard Book Number

9783642249679

Title

OhioLINK electronic book center (Online)

Title

SpringerLink

Catalysis.

Molecular dynamics.

Nanostructured materials.

Number

Edition

Class number

Book number

Abrol, R., (Ravi)

Kirchner, Barbara,Prof. Dr.

Vrabec, Jadran.

Ohio Library and Information Network.

Date of Transaction

20120504105708.0

Cataloguing Rules (Descriptive Conventions))

rda

Electronic name

[Book]

Y