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The Woman in the Window by A. J. Finn Read the opening extract of the brand new A. J. Finn book before its publication on 22/01/2018

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

Chemical Reactions Basic Theory and Computing by Antonio Lagana Chemical Reactions Basic Theory and Computing

This graduate textbook, written by experienced lecturers, features the study and computation of efficient reactive processes.The text begins with the problem of determining the chemical reaction properties by first decomposing complex processes into their elementary components.
Format: Hardback - Released: 27/10/2017

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: 26/10/2017

Quantum Computational Chemistry Modelling and Calculation for Functional Materials by Taku Onishi Quantum Computational Chemistry Modelling and Calculation for Functional Materials

This book is for both theoretical and experimental chemists to begin quantum molecular orbital calculations for functional materials.
Format: Hardback - Released: 25/09/2017

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.
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.
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

The reactions investigated include: (i) a nitrile-containing template-assisted meta-selective C-H activation, (ii) Pd/mono-N-protected amino acid (MPAA) catalyzed meta-selective C-H activation, (iii) Pd/MPAA catalyzed asymmetric C-H activation reactions, and (iv) Cu-catalyzed sp3 C-H cross-dehydrogenative-coupling reaction.
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

Coming Soon

Large-Scale Quantum Chemistry A Practical Guide for Electronic Structure Calculations by Antonio Mario (St. Jude Children's Research Hospital, Memphis, Tennessee, USA) Ferreira, Henry Allan (University of Memp Kurtz Large-Scale Quantum Chemistry A Practical Guide for Electronic Structure Calculations
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Written for scientists and students in the areas of computational chemistry, computational biology, materials science, and pharmacology, this reference serves as a guide to the pitfalls and special considerations required to properly perform large-scale calculations of molecular structure and properties....
Format: Hardback - Released: 15/01/2018

The Flipped Classroom Volume 2 Results from Practice by Jennifer L. (Professor of Chemistry, Centre College) Muzyka The Flipped Classroom Volume 2 Results from Practice
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The flipped classroom is a variation on a pedagogical method that has been around for generations. In the flipped classroom, students gain exposure to course content before class and the face-to-face time involves active learning. This pedagogical method is part...
Format: Hardback - Released: 01/02/2018

Building and Maintaining Award-Winning ACS Student Member Chapters Volume 2 Specific Program Areas by Matthew J. (Professor of Chemistry, University of Detroit Mercy) Mio Building and Maintaining Award-Winning ACS Student Member Chapters Volume 2 Specific Program Areas
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This twin set of volumes is an attempt to capture numerous voices among those in the ACS who have built award-winning Student Member Chapters, as well as those who have kept them going, in some cases for decades. Volume 1...
Format: Hardback - Released: 01/02/2018

Other books in this genre

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

Aggregation Induced Emission by Royal Society of Chemistry Aggregation Induced Emission

Discusses current challenges and potential breakthroughs in aggregation-induced emission (AIE), focussing on the issues associated with the development of new fluorescent and phosphorescent AIEgens.
Format: Hardback - Released: 02/03/2017

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

Reaction Rate Theory Faraday Discussion 195 by Royal Society of Chemistry Reaction Rate Theory Faraday Discussion 195

Theoretical and physical chemists, molecular biologists, solid state physicists and bio-physicists in academia and industry discuss recent advances in reaction rate theory.
Format: Hardback - Released: 09/01/2017

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

Simulating Enzyme Reactivity Computational Methods in Enzyme Catalysis by James T. Hynes Simulating Enzyme Reactivity Computational Methods in Enzyme Catalysis

Exploring the theories, methodologies and applications in simulations of enzymatic reactions, this book is a great resource for postgraduate students and researchers.
Format: Hardback - Released: 25/11/2016

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

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.The...
Format: Paperback - Released: 01/11/2016

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