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The Treatment by C. L. Taylor Read the opening extract of the brand new C. L. Taylor book before its publication on 19/10/2017

Quantum & theoretical chemistry books

See below for a selection of the latest books from Quantum & theoretical chemistry category. Presented with a red border are the Quantum & theoretical chemistry books that have been lovingly read and reviewed by the experts at Lovereading.

With expert reading recommendations made by people with a passion for books and some unique features Lovereading will help you find great Quantum & theoretical chemistry books and those from many more genres to read that will keep you inspired and entertained. And it's all free!


Recently Published

Structural Chemistry Principles, Methods, and Case Studies by Mihai V. Putz, Fanica Cimpoesu, Marilena Ferbinteanu Structural Chemistry Principles, Methods, and Case Studies
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This book explains key concepts in theoretical chemistry and explores practical applications in structural chemistry. For experimentalists, it highlights concepts that explain the underlying mechanisms of observed phenomena, and at the same time provides theoreticians with explanations of the principles...
Format: Hardback - Released: 29/07/2017

Applications of Quantum Dynamics in Chemistry by Fabien Gatti, Benjamin Lasorne, Hans-Dieter Meyer, Andre Nauts Applications of Quantum Dynamics in Chemistry
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This book explains the usage and application of Molecular Quantum Dynamics, the methodology where both the electrons and the nuclei in a molecule are treated with quantum mechanical calculations. This volume of Lecture Notes in Chemistry addresses graduate students and...
Format: Hardback - Released: 14/07/2017

Mechanistic Studies on Transition Metal-Catalyzed C-H Activation Reactions Using Combined Mass Spectrometry and Theoretical Methods by Gui-Juan Cheng Mechanistic Studies on Transition Metal-Catalyzed C-H Activation Reactions Using Combined Mass Spectrometry and Theoretical Methods

This thesis presents detailed mechanistic studies on a series of important C-H activation reactions using combined computational methods and mass spectrometry experiments. It also provides guidance on the design and improvement of catalysts and ligands. The reactions investigated include: (i)...
Format: Hardback - Released: 26/06/2017

Non-covalent Interactions in Quantum Chemistry and Physics Theory and Applications by Alberto (University of British Columbia, Okanagan, Canada) Otero de la Roza Non-covalent Interactions in Quantum Chemistry and Physics Theory and Applications
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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...
Format: Paperback - Released: 13/06/2017

Advances in Quantum Chemistry: Ratner Volume by John R. (Quantum Theory Project, University of Florida, Gainesville, FL, USA) Sabin Advances in Quantum Chemistry: Ratner Volume
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Advances in Quantum Chemistry, Volume 75 presents work and reviews of current progress in computational quantum mechanics as presented by some of the world's leading experts. This latest release includes chapters on Mean-Field Methods for Time-Dependent Quantum Dynamics of Many-Atom...
Format: Hardback - Released: 25/05/2017

Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer by Ilia A. Solovyov, Andrey Korol, Andrey Solov'yov Multiscale Modeling of Complex Molecular Structure and Dynamics with MBN Explorer
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This book introduces readers to MesoBioNano (MBN) Explorer - a multi-purpose software package designed to model molecular systems at various levels of size and complexity. In addition, it presents a specially designed multi-task toolkit and interface - the MBN Studio...
Format: Hardback - Released: 24/05/2017

Advances in Quantum Chemistry: Lowdin Volume by John R. (Quantum Theory Project, University of Florida, Gainesville, FL, USA) Sabin Advances in Quantum Chemistry: Lowdin Volume
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Advances in Quantum Chemistry: Lowdin Volume presents a series of articles exploring aspects of the application of quantum mechanics to atoms, molecules, and solids.
Format: Hardback - Released: 22/02/2017

Clusters Structure, Bonding and Reactivity by Minh Tho Nguyen Clusters Structure, Bonding and Reactivity

The field of atomic clusters continues to attract great interest amongst physicists and chemists alike. This is in part due to their intrinsic properties and potential industrial applications. The first part of Binary Clusters is devoted to recent developments in...
Format: Hardback - Released: 09/02/2017

Coming Soon

Computational Tools for Chemical Biology by Leif Eriksson, Modesto Orozco Computational Tools for Chemical Biology
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This book offers a fresh perspective on how computational tools can aid the chemical biology research community and drive new research.
Format: Hardback - Released: 28/09/2017

Energetic Materials From Cradle to Grave by Manoj Shukla Energetic Materials From Cradle to Grave

This book offers a comprehensive account of energetic materials, including their synthesis, computational modeling, applications, associated degradation mechanisms, environmental consequences and fate and transport. This multi-author contributed volume describes how armed forces around the world are moving their attention from...
Format: Hardback - Released: 03/10/2017

Multi-shell Polyhedral Clusters by Mircea Vasile Diudea Multi-shell Polyhedral Clusters

This volume presents new methodologies and rationalizes existing methods that are used in the design of multi-shell polyhedral clusters. The author goes on to show how the recently established methods are used for building complex multi-shell nanostructures and how this...
Format: Hardback - Released: 17/10/2017

Other books in this genre

Thom H. Dunning, Jr. A Festschrift from Theoretical Chemistry Accounts by Angela K. Wilson Thom H. Dunning, Jr. A Festschrift from Theoretical Chemistry Accounts

In this Festschrift celebrating the career of Thom H. Dunning, Jr., selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in...
Format: Paperback - Released: 16/12/2016

Interaction-Induced Electric Properties of van der Waals Complexes by Victor N. Cherepanov, Mikhail A. Buldakov Interaction-Induced Electric Properties of van der Waals Complexes
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This brief explains the theory of the interaction-induced electrical properties of van der Waals complexes. It focuses on the interaction-induced electrical dipole moments, polarizabilities and first hyperpolarizabilities of atom-atomic, atom-molecular and molecular-molecular van der Waals complexes.
Format: Paperback - Released: 28/11/2016

Theoretical Modeling of Inorganic Nanostructures Symmetry and Ab-Initio Calculations of Nanolayers, Nanotubes and Nanowires by R. A. Evarestov Theoretical Modeling of Inorganic Nanostructures Symmetry and Ab-Initio Calculations of Nanolayers, Nanotubes and Nanowires

This book deals with the theoretical and computational simulation of monoperiodic nanostructures for different classes of inorganic substances. These simulations are related to their synthesis and experimental studies. A theoretical formalism is developed to describe 1D nanostructures with symmetric shapes...
Format: Paperback - Released: 18/11/2016

Single Molecular Machines and Motors Proceedings of the 1st International Symposium on Single Molecular Machines and Motors, Toulouse 19-20 June 2013 by Christian Joachim Single Molecular Machines and Motors Proceedings of the 1st International Symposium on Single Molecular Machines and Motors, Toulouse 19-20 June 2013

Single Molecular Machines and Motors brings together different approaches and strategies to design, synthesize and study single molecular machines and motors in a multidisciplinary way. Written by leading international experts, this book summarizes the advances in the field through a...
Format: Paperback - Released: 18/11/2016

Chirality in Supramolecular Assemblies Causes and Consequences by F. Richard Keene Chirality in Supramolecular Assemblies Causes and Consequences

Supramolecular chemistry deals with the organisation of molecules into defined assemblies using non-covalent interactions, including weaker and reversible interactions such as hydrogen bonds, and metal-ligand interactions.
Format: Hardback - Released: 11/11/2016

Many-Electron Approaches in Physics, Chemistry and Mathematics A Multidisciplinary View by Volker Bach Many-Electron Approaches in Physics, Chemistry and Mathematics A Multidisciplinary View

This book provides a broad description of the development and (computational) application of many-electron approaches from a multidisciplinary perspective. In the context of studying many-electron systems Computer Science, Chemistry, Mathematics and Physics are all intimately interconnected. However, beyond a handful...
Format: Paperback - Released: 04/11/2016

Magnetic Interactions in Molecules and Solids by Coen De Graaf, Ria Broer Magnetic Interactions in Molecules and Solids
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This textbook is the second volume in the Theoretical Chemistry and Computational Modeling series and aims to explain the theoretical basis of magnetic interactions at a level that will be useful for master students in physical, inorganic and organic chemistry....
Format: Paperback - Released: 01/11/2016

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