Basic Molecular Modeling

Variational Methods in Molecular Modeling  eBooks & eLearning

Posted by AvaxGenius at Jan. 4, 2017
Variational Methods in Molecular Modeling

Variational Methods in Molecular Modeling By Jianzhong Wu
English | PDF | 2017 | 331 Pages | ISBN : 9811025002 | 6.73 MB

This book presents tutorial overviews for many applications of variational methods to molecular modeling. Topics discussed include the Gibbs-Bogoliubov-Feynman variational principle, square-gradient models, classical density functional theories, self-consistent-field theories, phase-field methods, Ginzburg-Landau and Helfrich-type phenomenological models, dynamical density functional theory, and variational Monte Carlo methods.

Molecular Modeling: Basic Principles and Applications (Repost)  eBooks & eLearning

Posted by DZ123 at Dec. 22, 2015
Molecular Modeling: Basic Principles and Applications (Repost)

Hans-Dieter Höltje, Gerd Folkers, Thomas Beier, "Molecular Modeling: Basic Principles and Applications"
English | 1996 | ISBN: 3527293841 | PDF | pages: 199 | 11,2 mb

Molecular Modeling: Basic Principles and Applications (Repost)  eBooks & eLearning

Posted by step778 at Oct. 20, 2014
Molecular Modeling: Basic Principles and Applications (Repost)

Hans-Dieter Höltje, Gerd Folkers, "Molecular Modeling: Basic Principles and Applications"
1996 | pages: 199 | ISBN: 3527293841 | PDF | 11,2 mb

Molecular Modeling Applications in Crystallization (Repost)  eBooks & eLearning

Posted by enmoys at Oct. 12, 2013
Molecular Modeling Applications in Crystallization (Repost)

Molecular Modeling Applications in Crystallization By Allan S. Myerson
1999 | 354 Pages | ISBN: 0521552974 , 0521019516 | PDF | 15 MB

Hans-Dieter Höltje, Molecular Modeling: Basic Principles and Applications (Repost)  eBooks & eLearning

Posted by Direktor69 at Aug. 7, 2013
 Hans-Dieter Höltje, Molecular Modeling: Basic Principles and Applications  (Repost)

Hans-Dieter Höltje, Molecular Modeling: Basic Principles and Applications
ISBN: 3527293841 | edition 1996 | PDF | 200 pages | 11 mb

Written by experienced experts in molecular modeling, this books describes the basics to the extent that is necessary if one wants to be able to reliably judge the results from molecular modeling calculations.
Its main objective is the description of the various pitfalls to be avoided. Without unnecessary overhead it leads the reader from simple calculations on small molecules to the modeling of proteins and other relevant biomolecules. A textbook for beginners as well as an invaluable reference for all those dealing with molecular modeling in their daily work!

Hybrid Methods of Molecular Modeling (repost)  eBooks & eLearning

Posted by fdts at May 12, 2013
Hybrid Methods of Molecular Modeling (repost)

Hybrid Methods of Molecular Modeling
by Andrei L. Tchougreeff
English | 2008 | ISBN: 140208188X | 360 pages | PDF | 2.6 MB

Hybrid Methods of Molecular Modeling (Repost)  eBooks & eLearning

Posted by elodar at Dec. 17, 2011
Hybrid Methods of Molecular Modeling (Repost)

Andrei L. Tchougréeff, "Hybrid Methods of Molecular Modeling"
Spr ing er | English | 2008-08-06 | ISBN: 140208188X | 360 pages | PDF | 2.8 mb

Hybrid Methods of Molecular Modeling (repost)  eBooks & eLearning

Posted by rolexmaya at July 3, 2011
Hybrid Methods of Molecular Modeling (repost)

Hybrid Methods of Molecular Modeling
Springer; 1 edition | August 6, 2008 | ISBN-10: 140208188X | 346 pages | PDF | 2.8 Mb

Hybrid Methods of Molecular Modeling is a self-contained advanced review offering step by step derivation of the consistent theoretical picture of hybrid modeling methods and the thorough analysis of the concepts and current practical methods of hybrid modeling based on this theory.

Molecular Modeling in Heavy Hydrocarbon Conversions  eBooks & eLearning

Posted by exLib at April 25, 2011
Molecular Modeling in Heavy Hydrocarbon Conversions

"Molecular Modeling in Heavy Hydrocarbon Conversions" by Michael T. Klein, Gang Hou, Ralph Bertolacini, Linda J. Broadbelt, Ankush Kumar
Chemical Industries: A Series of Reference Books and Textbooks, 109
CRC Press, Taylor & Francis Group | 2006 | ISBN: 0824758516 | 247 pages | PDF/djvu | 3 MB

In the past two decades, new modeling efforts have gradually incorporated more molecular and structural detail in response to environmental and technical interests. Molecular Modeling in Heavy Hydrocarbon Conversions introduces a systematic molecule-based modeling approach with a system of chemical engineering software tools that can automate the entire model building, solution, and optimization process.

Molecular Modeling of Geochemical Reactions : An Introduction  eBooks & eLearning

Posted by readerXXI at Dec. 29, 2016
Molecular Modeling of Geochemical Reactions : An Introduction

Molecular Modeling of Geochemical Reactions : An Introduction
by James D. Kubicki
English | 2016 | ISBN: 1118845080 | 437 Pages | True PDF | 19.3 MB

Molecular modelling is a powerful and versatile toolbox that complements experimental data and provides insights where direct observation is not currently possible.