Non 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 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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  • Author : Alberto Otero de la Roza
  • Publisher : Elsevier
  • Pages : 476 pages
  • ISBN : 0128098368
  • Rating : 4/5 from 21 reviews
CLICK HERE TO GET THIS BOOKNon covalent Interactions in Quantum Chemistry and Physics

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 : 15 June 2017
GET THIS 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 : 16 April 2015
GET THIS 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,

Non-covalent Interactions

Non-covalent Interactions
  • Author : Pavel Hobza,Klaus Müller-Dethlefs
  • Publisher : Royal Society of Chemistry
  • Release : 07 May 2021
GET THIS 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."

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 : 04 March 2019
GET THIS 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 In Proteins

Non-covalent Interactions In Proteins
  • Author : Karshikoff Andrey
  • Publisher : World Scientific
  • Release : 23 November 2006
GET THIS BOOKNon-covalent Interactions In Proteins

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.The ideal aid for

Transition Metals in Coordination Environments

Transition Metals in Coordination Environments
  • Author : Ewa Broclawik,Tomasz Borowski,Mariusz Radoń
  • Publisher : Springer
  • Release : 16 March 2019
GET THIS 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,

Physical Chemistry

Physical Chemistry
  • Author : Andrew Cooksy
  • Publisher : Prentice Hall
  • Release : 04 January 2013
GET THIS BOOKPhysical Chemistry

Fostering an intuitive understanding of chemistry, Physical Chemistry: Quantum Chemistry and Molecular Interactions presents the structure and unity of the theoretical framework of modern chemistry in a progression from the single atom to the bulk limit. Employing an engaging and somewhat informal tone, this new text delivers a superior presentation of rigorous mathematical derivations, thermodynamics, and quantum theory and mechanics in a manner that is accessible and applicable to diverse readers.

Reviews of Modern Quantum Chemistry

Reviews of Modern Quantum Chemistry
  • Author : Kali Das Sen
  • Publisher : World Scientific
  • Release : 07 May 2021
GET THIS BOOKReviews of Modern Quantum Chemistry

This important book collects together stateOCoofOCotheOCoart reviews of diverse topics covering almost all the major areas of modern quantum chemistry. The current focus in the discipline of chemistry OCo synthesis, structure, reactivity and dynamics OCo is mainly on control . A variety of essential computational tools at the disposal of chemists have emerged from recent studies in quantum chemistry. The acceptance and application of these tools in the interfacial disciplines of the life and physical sciences continue to grow. The new

Group Theory in Quantum Mechanics

Group Theory in Quantum Mechanics
  • Author : Volker Heine
  • Publisher : Elsevier
  • Release : 15 May 2014
GET THIS BOOKGroup Theory in Quantum Mechanics

Group Theory in Quantum Mechanics: An Introduction to its Present Usage introduces the reader to the three main uses of group theory in quantum mechanics: to label energy levels and the corresponding eigenstates; to discuss qualitatively the splitting of energy levels as one starts from an approximate Hamiltonian and adds correction terms; and to aid in the evaluation of matrix elements of all kinds, and in particular to provide general selection rules for the non-zero ones. The theme is to

University Physics

University Physics
  • Author : Samuel J. Ling,Jeff Sanny,William Moebs
  • Publisher : Unknown Publisher
  • Release : 19 December 2017
GET THIS BOOKUniversity Physics

University Physics is designed for the two- or three-semester calculus-based physics course. The text has been developed to meet the scope and sequence of most university physics courses and provides a foundation for a career in mathematics, science, or engineering. The book provides an important opportunity for students to learn the core concepts of physics and understand how those concepts apply to their lives and to the world around them. Due to the comprehensive nature of the material, we are

Understanding Nanomaterials

Understanding Nanomaterials
  • Author : Malkiat S. Johal
  • Publisher : CRC Press
  • Release : 22 May 2012
GET THIS BOOKUnderstanding Nanomaterials

With a selective presentation of topics that makes it accessible for students who have taken introductory university science courses, Understanding Nanomaterials is a training tool for the future workforce in nanotech development. This introductory textbook offers insights into the fundamental principles that govern the fabrication, characterization, and application of nanomaterials. Provides the Background for Fundamental Understanding Assuming only a basic level of competency in physics, chemistry, and biology, the author focuses on the needs of the undergraduate curriculum, discussing important

Molecular Aggregation

Molecular Aggregation
  • Author : Angelo Gavezzotti
  • Publisher : OUP Oxford
  • Release : 07 May 2021
GET THIS BOOKMolecular Aggregation

The book is divided in two parts, to supply first the basic elements of the language, with short but complete explanations of terms, methods and theories; and then to describe the present status of studies on the processes by which organic molecules aggregate to form observable bodies and to determine their physical and chemical properties.

Hydrogen Bonding - New Insights

Hydrogen Bonding - New Insights
  • Author : Slawomir Grabowski
  • Publisher : Springer Science & Business Media
  • Release : 07 October 2006
GET THIS BOOKHydrogen Bonding - New Insights

This book uses examples from experimental studies to illustrate theoretical investigations, allowing greater understanding of hydrogen bonding phenomena. The most important topics in recent studies are covered. This volume is an invaluable resource that will be of particular interest to physical and theoretical chemists, spectroscopists, crystallographers and those involved with chemical physics.