Molecular systems engineering / volume edited by Claire S. Adjiman and Amparo Galindo.

Format:

Book

Contributor:

Adjiman, Claire Sandrine Jacqueline, 1972-

Galindo, Amparo.

Series:

Process systems engineering (Wiley-VCH) ; v. 6.

Process systems engineering ; v. 6

Language:

English

Subjects (All):

Chemical processes--Mathematical models.

Chemical processes.

Chemical processes--Data processing.

Physical Description:

xvii, 317 pages : illustrations (some color) ; 25 cm.

Place of Publication:

Weinheim : Wiley-VCH, [2010]

Contents:

CrystalOptimizer : an efficient algorithm for lattice energy minimization of organic crystals using isolated-molecule quantum mechanical calculations / A.V. Kazantsev ... [et al.]

An introduction to coarse-graining approaches : linking atomistic and mesoscales / N. Chennamsetty ... [et al.]

Hierarchical modeling of polymeric systems at multiple time and length scales / G. Tsolou and V.G. Mavrantzas

Group contribution methodologies for the prediction of thermodynamic properties and phase behavior in mixtures / V. Papaioannou ... [et al.]

Optimization-based approaches to computational molecular design / J.C. Eslick ... [et al.]

Molecular modeling of formulated consumer products / B.P. Murch ... [et al.]

Recent advances in de novo protein design / M.L. Bellows, H.K. Fung and C.A. Floudas

Principles and methodologies for the controlled formation of self-assembled nanoscale structures with desired geometries / E.O.P. Solis, P.I. Barton and G. Stephanopoulos

Computer-aided methodologies for the design of reaction solvents / H. Strübing ... [et al.].

Notes:

Includes bibliographical references and index.

"Centre for Process Systems Engineering"--cover.

ISBN:

9783527316953

3527316957

OCLC:

468969353