Non covalent Interactions in Quantum Chemistry and Physics

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  • Publisher : Elsevier
  • Release : 15 June 2017
  • ISBN : 9780128098363
  • Page : 476 pages
  • Rating : 4.5/5 from 103 voters

Non covalent Interactions in Quantum Chemistry and Physics Book PDF summary

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

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Non-covalent Interactions in Quantum Chemistry and Physics

Non-covalent Interactions in Quantum Chemistry and Physics
  • Author : Alberto Otero de la Roza,Gino A. DiLabio
  • Publisher : Elsevier
  • Release Date : 2017-06-15
  • ISBN : 9780128098363
DOWNLOAD BOOKNon-covalent Interactions in Quantum Chemistry and Physics

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

Noncovalent Forces

Noncovalent Forces
  • Author : Steve Scheiner
  • Publisher : Springer
  • Release Date : 2015-04-16
  • ISBN : 9783319141633
DOWNLOAD BOOKNoncovalent Forces

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,

Noncovalent Interactions in Catalysis

Noncovalent Interactions in Catalysis
  • Author : Kamran T Mahmudov,Maximilian N Kopylovich,M Fatima C Guedes da Silva,Armando J L Pombeiro
  • Publisher : Royal Society of Chemistry
  • Release Date : 2019-03-04
  • ISBN : 9781788014687
DOWNLOAD BOOKNoncovalent Interactions in Catalysis

Noncovalent interactions often provide the spine of biomolecular and material structures, and can therefore play a key role in biological and catalytic processes. Selectivity in chemical reactions, particularly in catalytic processes, is often an orchestral action of various noncovalent interactions occurring in intermediates and transition states. Although the role of hydrogen bonding is well explored in catalysis, the other types of weak interactions, namely cation-π, anion-π, π-π stacking, pseudo-agostic, halogen, chalcogen, pnictogen, tetrel and icosagen bonds, must also be considered.

Non-covalent Interactions

Non-covalent Interactions
  • Author : Pavel Hobza,Klaus Müller-Dethlefs
  • Publisher : Royal Society of Chemistry
  • Release Date : 2010
  • ISBN : 9781847558534
DOWNLOAD BOOKNon-covalent Interactions

Co-authored by an experimentalist (Klaus M ller-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."

Conjugated Polymers

Conjugated Polymers
  • Author : John R. Reynolds,Barry C. Thompson,Terje A. Skotheim
  • Publisher : CRC Press
  • Release Date : 2019-03-27
  • ISBN : 9781351659802
DOWNLOAD BOOKConjugated Polymers

The Fourth Edition of the Handbook of Conducting Polymers, Two-Volume Set continues to be the definitive resource on the topic of conducting polymers. Completely updated with an extensive list of authors that draws on past and new contributors, the book takes into account the significant developments both in fundamental understanding and applications since publication of the previous edition. One of two volumes comprising the comprehensive Handbook, Conjugated Polymers: Perspective, Theory, and New Materials features new chapters on the fundamental theory

Chemical Physics and Quantum Chemistry

Chemical Physics and Quantum Chemistry
  • Author : Anonim
  • Publisher : Academic Press
  • Release Date : 2020-09-18
  • ISBN : 9780128197585
DOWNLOAD BOOKChemical Physics and Quantum Chemistry

Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry

Handbook of Computational Chemistry

Handbook of Computational Chemistry
  • Author : Jerzy Leszczynski
  • Publisher : Springer Science & Business Media
  • Release Date : 2012-01-14
  • ISBN : 9789400707108
DOWNLOAD BOOKHandbook of Computational Chemistry

This handbook is a guide to current methods of computational chemistry, explaining their limitations and advantages and providing examples of their applications. The first part outlines methods, the balance of volumes present numerous important applications.

Non-covalent Interactions In Proteins (Second Edition)

Non-covalent Interactions In Proteins (Second Edition)
  • Author : Andrey Karshikoff
  • Publisher : World Scientific
  • Release Date : 2021-11-08
  • ISBN : 9789811228100
DOWNLOAD BOOKNon-covalent Interactions In Proteins (Second Edition)

Although textbooks on the physics of condensed matter consider non-covalent interactions in detail, their application for analysis of protein properties is often poorly presented or omitted. On the other hand, books on biochemistry, molecular modeling or molecular simulation introduce these interactions in the context of the corresponding topic, which sometimes results in superficial explanations of their nature. This book succeeds in uniting comprehensive considerations of non-covalent interactions with the specificity of their application in protein sciences.This second edition includes

Annual Reports in Computational Chemistry

Annual Reports in Computational Chemistry
  • Author : Anonim
  • Publisher : Elsevier
  • Release Date : 2017-08-24
  • ISBN : 9780444639448
DOWNLOAD BOOKAnnual Reports in Computational Chemistry

Annual Reports in Computational Chemistry, Volume 13 provides timely and critical reviews of important topics in computational chemistry. Topics in this new release include chapters on the Quantum Chemical Model for Molecular Properties and Processes at the Extreme High Pressure, a section on Interpreting Bonding and Spectra with Correlated, One-Electron Concepts from Electron Propagator Theory, Benchmark databases of intermolecular interaction energies: design, construction, and significance, Gaussian Accelerated Molecular Dynamics: Theory, Implementation and Applications, and Dissociation in Binary Acid/Base Clusters: An

Practical Aspects of Computational Chemistry I

Practical Aspects of Computational Chemistry I
  • Author : Jerzy Leszczynski,Manoj Shukla
  • Publisher : Springer Science & Business Media
  • Release Date : 2012-01-13
  • ISBN : 9789400709188
DOWNLOAD BOOKPractical Aspects of Computational Chemistry I

Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to which all authors have participated and contributed to its success. This volume poses (and answers) important questions of interest to the computational

Annual Reports in Computational Chemistry

Annual Reports in Computational Chemistry
  • Author : Ralph A. Wheeler
  • Publisher : Newnes
  • Release Date : 2013-09-28
  • ISBN : 9780444626684
DOWNLOAD BOOKAnnual Reports in Computational Chemistry

Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Quantum chemistry Molecular mechanics Force fields Chemical education and applications in academic and industrial settings

Handbook of Conducting Polymers, Fourth Edition - 2 Volume Set

Handbook of Conducting Polymers, Fourth Edition - 2 Volume Set
  • Author : John R. Reynolds,Barry C. Thompson,Terje A. Skotheim
  • Publisher : CRC Press
  • Release Date : 2019-11-14
  • ISBN : 9781351660235
DOWNLOAD BOOKHandbook of Conducting Polymers, Fourth Edition - 2 Volume Set

In the last 10 years there have been major advances in fundamental understanding and applications and a vast portfolio of new polymer structures with unique and tailored properties was developed. Work moved from a chemical repeat unit structure to one more based on structural control, new polymerization methodologies, properties, processing, and applications. The 4th Edition takes this into account and will be completely rewritten and reorganized, focusing on spin coating, spray coating, blade/slot die coating, layer-by-layer assembly, and fiber spinning

Practical Aspects of Computational Chemistry V

Practical Aspects of Computational Chemistry V
  • Author : Jerzy Leszczynski
  • Publisher : Springer Nature
  • Release Date : 2022-08-15
  • ISBN : 9783030832445
DOWNLOAD BOOKPractical Aspects of Computational Chemistry V

Cold Chemistry

Cold Chemistry
  • Author : Olivier Dulieu,Andreas Osterwalder
  • Publisher : Royal Society of Chemistry
  • Release Date : 2017-12-06
  • ISBN : 9781788013550
DOWNLOAD BOOKCold Chemistry

Recent years have seen tremendous progress in research on cold and controlled molecular collisions, both in theory and in experiment. The advent of techniques to prepare cold and ultracold molecules and ions, to store them in optical lattices or in charged quasicristalline structures, and to use them in crossed or merged beam experiments have opened many new possibilities to study the most fundamental aspects of molecular interactions. At the same time, theoretical work has made progress in tackling these problems

Transition Metals in Coordination Environments

Transition Metals in Coordination Environments
  • Author : Ewa Broclawik,Tomasz Borowski,Mariusz Radoń
  • Publisher : Springer
  • Release Date : 2019-03-16
  • ISBN : 9783030117146
DOWNLOAD BOOKTransition Metals in Coordination Environments

This book focuses on the electronic properties of transition metals in coordination environments. These properties are responsible for the unique and intricate activity of transition metal sites in bio- and inorganic catalysis, but also pose challenges for both theoretical and experimental studies. Written by an international group of recognized experts, the book reviews recent advances in computational modeling and discusses their interplay using experiments. It covers a broad range of topics, including advanced computational methods for transition metal systems; spectroscopic,