E Book For Computational Molecular Modeling
DOWNLOAD eBooks
Download E Book For Computational Molecular Modeling PDF/ePub or read online books in Mobi eBooks. Click Download or Read Online button to get E Book For Computational Molecular Modeling book now. This website allows unlimited access to, at the time of writing, more than 1.5 million titles, including hundreds of thousands of titles in various foreign languages. If the content not found or just blank you must refresh this page
Computational Chemistry And Molecular Modeling
DOWNLOAD eBooks
Author : K. I. Ramachandran
language : en
Publisher: Springer Science & Business Media
Release Date : 2008-06-13
Computational Chemistry And Molecular Modeling written by K. I. Ramachandran and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-06-13 with Science categories.
The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Computational Molecular Dynamics Challenges Methods Ideas
DOWNLOAD eBooks
Author : Peter Deuflhard
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Computational Molecular Dynamics Challenges Methods Ideas written by Peter Deuflhard and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Mathematics categories.
On May 21-24, 1997 the Second International Symposium on Algorithms for Macromolecular Modelling was held at the Konrad Zuse Zentrum in Berlin. The event brought together computational scientists in fields like biochemistry, biophysics, physical chemistry, or statistical physics and numerical analysts as well as computer scientists working on the advancement of algorithms, for a total of over 120 participants from 19 countries. In the course of the symposium, the speakers agreed to produce a representative volume that combines survey articles and original papers (all refereed) to give an impression of the present state of the art of Molecular Dynamics. The 29 articles of the book reflect the main topics of the Berlin meeting which were i) Conformational Dynamics, ii) Thermodynamic Modelling, iii) Advanced Time-Stepping Algorithms, iv) Quantum-Classical Simulations and Fast Force Field and v) Fast Force Field Evaluation.
Computational Modeling Of Molecular Electrocatalyst For Hydrogen Production
DOWNLOAD eBooks
Author : M. Panneerselvam
language : en
Publisher: Independent Author
Release Date : 2023-06-12
Computational Modeling Of Molecular Electrocatalyst For Hydrogen Production written by M. Panneerselvam and has been published by Independent Author this book supported file pdf, txt, epub, kindle and other format this book has been release on 2023-06-12 with categories.
Computational Modeling of Molecular Electrocatalyst for Hydrogen Production" is a comprehensive guidebook written by M. Panneerselvam that explores the principles and applications of molecular electrocatalysis in the field of hydrogen production. The book offers a detailed overview of the current state-of-the-art computational tools used in molecular electrocatalysis and hydrogen production, along with their limitations and potential for future developments. It also covers the basic concepts of molecular electrocatalysis, such as electron transfer, activation energy, and reaction kinetics. Panneerselvam delves into the design and development of molecular electrocatalysts for hydrogen production, providing a thorough discussion on the computational modeling and simulation techniques involved in this process. He also explores the challenges and opportunities in developing effective electrocatalysts for hydrogen production, including the optimization of reaction conditions, the selection of appropriate materials, and the identification of key performance indicators. This book will be of great interest to researchers and professionals working in the fields of electrocatalysis, computational chemistry, and renewable energy. It provides a comprehensive reference for anyone looking to gain a deeper understanding of the computational modeling of molecular electrocatalysts for hydrogen production
Introduction To Computational Chemistry
DOWNLOAD eBooks
Author : Frank Jensen
language : en
Publisher: John Wiley & Sons
Release Date : 2017-02-06
Introduction To Computational Chemistry written by Frank Jensen and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-02-06 with Science categories.
Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields Tight-binding DFT More extensive DFT functionals, excited states and time dependent molecular properties Accelerated Molecular Dynamics methods Tensor decomposition methods Cluster analysis Reduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3
Molecular Modelling
DOWNLOAD eBooks
Author : Peter Bladon
language : en
Publisher: Royal Society of Chemistry
Release Date : 2012
Molecular Modelling written by Peter Bladon and has been published by Royal Society of Chemistry this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with Science categories.
This book is a practical, easy-to-use guide for readers with limited experience of molecular modelling. Unlike many other textbooks in this field, the authors avoid extensive discussion around complex mathematical foundations behind the methods, choosing instead to provide the reader with the choice of methods themselves.
Computational Chemistry And Molecular Modeling
DOWNLOAD eBooks
Author : K. I. Ramachandran
language : en
Publisher: Springer Science & Business Media
Release Date : 2008-05-20
Computational Chemistry And Molecular Modeling written by K. I. Ramachandran and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-05-20 with Science categories.
The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Molecular Modelling
DOWNLOAD eBooks
Author : Andrew R. Leach
language : en
Publisher: Pearson Education
Release Date : 2001
Molecular Modelling written by Andrew R. Leach and has been published by Pearson Education this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001 with Science categories.
Book is in the Baton Rouge Library (08/14/06).
Quantum Modeling Of Complex Molecular Systems
DOWNLOAD eBooks
Author : Jean-Louis Rivail
language : en
Publisher: Springer
Release Date : 2015-10-13
Quantum Modeling Of Complex Molecular Systems written by Jean-Louis Rivail and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-10-13 with Science categories.
This multi-author contributed volume includes methodological advances and original applications to actual chemical or biochemical phenomena which were not possible before the increased sophistication of modern computers. The chapters contain detailed reviews of the developments of various computational techniques, used to study complex molecular systems such as molecular liquids and solutions (particularly aqueous solutions), liquid-gas, solid-gas interphase and biomacromolecular systems. Quantum modeling of complex molecular systems is a useful resource for graduate students and fledgling researchers and is also an excellent companion for research professionals engaged in computational chemistry, material science, nanotechnology, physics, drug design, and molecular biochemistry.
Molecular Modeling And Simulation
DOWNLOAD eBooks
Author : Tamar Schlick
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-04-18
Molecular Modeling And Simulation written by Tamar Schlick and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-04-18 with Science categories.
Very broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text
Computational Pharmaceutics
DOWNLOAD eBooks
Author : Defang Ouyang
language : en
Publisher: John Wiley & Sons
Release Date : 2015-07-20
Computational Pharmaceutics written by Defang Ouyang and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-07-20 with Science categories.
Molecular modeling techniques have been widely used in drug discovery fields for rational drug design and compound screening. Now these techniques are used to model or mimic the behavior of molecules, and help us study formulation at the molecular level. Computational pharmaceutics enables us to understand the mechanism of drug delivery, and to develop new drug delivery systems. The book discusses the modeling of different drug delivery systems, including cyclodextrins, solid dispersions, polymorphism prediction, dendrimer-based delivery systems, surfactant-based micelle, polymeric drug delivery systems, liposome, protein/peptide formulations, non-viral gene delivery systems, drug-protein binding, silica nanoparticles, carbon nanotube-based drug delivery systems, diamond nanoparticles and layered double hydroxides (LDHs) drug delivery systems. Although there are a number of existing books about rational drug design with molecular modeling techniques, these techniques still look mysterious and daunting for pharmaceutical scientists. This book fills the gap between pharmaceutics and molecular modeling, and presents a systematic and overall introduction to computational pharmaceutics. It covers all introductory, advanced and specialist levels. It provides a totally different perspective to pharmaceutical scientists, and will greatly facilitate the development of pharmaceutics. It also helps computational chemists to look for the important questions in the drug delivery field. This book is included in the Advances in Pharmaceutical Technology book series.