Non-covalent Interactions in Quantum Chemistry and Physics

2017-06-15 Science

Author : Alberto Otero de la Roza
Release : 2017-06-15
Genre : Science
Kind : eBook
Book Rating : 368/5 ( reviews)

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Book Synopsis Non-covalent Interactions in Quantum Chemistry and Physics by : Alberto Otero de la Roza

Download or read book Non-covalent Interactions in Quantum Chemistry and Physics written by Alberto Otero de la Roza. This book was released on 2017-06-15. Available in PDF, EPUB and Kindle. Book excerpt: Non-covalent Interactions in Quantum Chemistry and Physics: Theory and Applications provides an entry point for newcomers and a standard reference for researchers publishing in the area of non-covalent interactions. Written by the leading experts in this field, the book enables experienced researchers to keep up with the most recent developments, emerging methods, and relevant applications. The book gives a comprehensive, in-depth overview of the available quantum-chemistry methods for intermolecular interactions and details the most relevant fields of application for those techniques. Theory and applications are put side-by-side, which allows the reader to gauge the strengths and weaknesses of different computational techniques. Summarizes the state-of-the-art in the computational intermolecular interactions field in a comprehensive work Introduces students and researchers from related fields to the topic of computational non-covalent interactions, providing a single unified source of information Presents the theoretical foundations of current quantum mechanical methods alongside a collection of examples on how they can be applied to solve practical problems

Noncovalent Forces

2015-04-16 Science

Author : Steve Scheiner
Release : 2015-04-16
Genre : Science
Kind : eBook
Book Rating : 635/5 ( reviews)

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Book Synopsis Noncovalent Forces by : Steve Scheiner

Download or read book Noncovalent Forces written by Steve Scheiner. This book was released on 2015-04-16. Available in PDF, EPUB and Kindle. Book excerpt: Computational methods, and in particular quantum chemistry, have taken the lead in our growing understanding of noncovalent forces, as well as in their categorization. This volume describes the current state of the art in terms of what we now know, and the current questions requiring answers in the future. Topics range from very strong (ionic) to very weak (CH--π) interactions. In the intermediate regime, forces to be considered are H-bonds, particularly CH--O and OH--metal, halogen, chalcogen, pnicogen and tetrel bonds, aromatic stacking, dihydrogen bonds, and those involving radicals. Applications include drug development and predictions of crystal structure.

Non-covalent Interactions

2010 Science

Author : Pavel Hobza
Release : 2010
Genre : Science
Kind : eBook
Book Rating : 534/5 ( reviews)

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Book Synopsis Non-covalent Interactions by : Pavel Hobza

Download or read book Non-covalent Interactions written by Pavel Hobza. This book was released on 2010. Available in PDF, EPUB and Kindle. Book excerpt: Co-authored by an experimentalist (Klaus M3ller-Dethlefs ) and theoretician (Pavel Hobza), the aim of this book is to provide a general introduction into the science behind non-covalent interactions and molecular complexes using some important experimental and theoretical methods and approaches.

Reviews in Computational Chemistry, Volume 29

2016-04-11 Science

Author : Abby L. Parrill
Release : 2016-04-11
Genre : Science
Kind : eBook
Book Rating : 932/5 ( reviews)

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Book Synopsis Reviews in Computational Chemistry, Volume 29 by : Abby L. Parrill

Download or read book Reviews in Computational Chemistry, Volume 29 written by Abby L. Parrill. This book was released on 2016-04-11. Available in PDF, EPUB and Kindle. Book excerpt: The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 29 include: Noncovalent Interactions in Density-Functional Theory Long-Range Inter-Particle Interactions: Insights from Molecular Quantum Electrodynamics (QED) Theory Efficient Transition-State Modeling using Molecular Mechanics Force Fields for the Everyday Chemist Machine Learning in Materials Science: Recent Progress and Emerging Applications Discovering New Materials via a priori Crystal Structure Prediction Introduction to Maximally Localized Wannier Functions Methods for a Rapid and Automated Description of Proteins: Protein Structure, Protein Similarity, and Protein Folding

Non-Covalent Interactions in Proteins

2021 Science

Author : Andrey Karshikoff
Release : 2021
Genre : Science
Kind : eBook
Book Rating : 087/5 ( reviews)

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Book Synopsis Non-Covalent Interactions in Proteins by : Andrey Karshikoff

Download or read book Non-Covalent Interactions in Proteins written by Andrey Karshikoff. This book was released on 2021. Available in PDF, EPUB and Kindle. Book excerpt: "This interdisciplinary book unites comprehensive considerations of the physics of non-covalent interactions with the specificity of their biochemical application in protein sciences, succeeding where pure physics and biochemical textbooks have failed. This second edition includes new chapters on intrinsically disordered proteins, microcalorimetry of proteins, cold denaturation, thermodynamic stability and thermal adaptability of proteins"--

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