# Principles and Applications of Quantum Chemistry

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- Author : V.P. Gupta
- Publisher : Academic Press
- Release : 15 October 2015
- ISBN : 9780128035016
- Page : 478 pages
- Rating : 4.5/5 from 103 voters

## Principles and Applications of Quantum Chemistry Book PDF summary

Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author’s extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. Simplified mathematical content and derivations for reader understanding Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) Accessible level for students and researchers interested in the use of quantum chemistry tools

### Principles and Applications of Quantum Chemistry

- Author : V.P. Gupta
- Publisher : Academic Press
- Release Date : 2015-10-15
- ISBN : 9780128035016

Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author’s extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and

### Introduction to Quantum Mechanics with Applications to Chemistry

- Author : Linus Pauling,E. Bright Wilson
- Publisher : Courier Corporation
- Release Date : 2012-06-08
- ISBN : 9780486134932

Classic undergraduate text explores wave functions for the hydrogen atom, perturbation theory, the Pauli exclusion principle, and the structure of simple and complex molecules. Numerous tables and figures.

### QUANTUM MECHANICS IN PHYSICS AND CHEMISTRY WITH APPLICATIONS TO BIOLOGY

- Author : RABI MAJUMDAR
- Publisher : PHI Learning Pvt. Ltd.
- Release Date : 2014-12-03
- ISBN : 9788120348820

This book provides a comprehensive treatment of the principles and applications of quantum mechanics with equal emphasis on concept building and problem solving. The book follows an integrated approach to expose the students to applications of quantum mechanics in both physics and chemistry streams. A chapter is devoted to biological applications as well, to evince the interest of the students pursuing courses in Biotechnology and Bioinformatics. Such unique organization of the book makes it suitable for both Quantum Mechanics and

### Modern Quantum Chemistry

- Author : Attila Szabo,Neil S. Ostlund
- Publisher : Courier Corporation
- Release Date : 2012-06-08
- ISBN : 9780486134598

This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.

### Computational Chemistry

- Author : Errol G. Lewars
- Publisher : Springer Science & Business Media
- Release Date : 2007-05-08
- ISBN : 9780306483912

Computational chemistry has become extremely important in the last decade, being widely used in academic and industrial research. Yet there have been few books designed to teach the subject to nonspecialists. Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons

### Physical Chemistry

- Author : Ignacio Tinoco,Kenneth Sauer,Joseph D. Puglisi,James C. Wang
- Publisher : Pearson College Division
- Release Date : 2002
- ISBN : UOM:39015054292407

This best-selling volume presents the principles and applications of physical chemistry as they are used to solve problems in biology and medicine. The First Law; the Second Law; free energy and chemical equilibria; free energy and physical Equilibria; molecular motion and transport properties; kinetics: rates of chemical reactions; enzyme kinetics; the theory and spectroscopy of molecular structures and interactions: molecular distributions and statistical thermodynamics; and macromolecular structure and X-ray diffraction. For anyone interested in physical chemistry as it relates to

### Introduction to Quantum Mechanics

- Author : S. M. Blinder
- Publisher : Academic Press
- Release Date : 2020-10-16
- ISBN : 9780128223116

Introduction to Quantum Mechanics, Second Edition presents an accessible, fully-updated introduction on the principles of quantum mechanics. The book outlines the fundamental concepts of quantum theory, discusses how these arose from classic experiments in chemistry and physics, and presents the quantum-mechanical foundations of many key scientific techniques. Chapters cover an introduction to the key principles underpinning quantum mechanics, differing types of molecular structures, bonds and behaviors, and applications of quantum mechanical theory across a number of important fields, including new

### Quantum Chemistry

- Author : John P. Lowe
- Publisher : Elsevier
- Release Date : 2012-12-02
- ISBN : 9780080515540

Praised for its appealing writing style and clear pedagogy, Lowe's Quantum Chemistry is now available in its Second Edition as a text for senior undergraduate- and graduate-level chemistry students. The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which quantum chemical methods or concepts are used as tools. The book begins with a six-chapter introduction of standard

### Quantum Chemistry Workbook

- Author : Jean-Louis Calais
- Publisher : Wiley-Interscience
- Release Date : 1994-10-24
- ISBN : 0471594350

A comprehensive, practical examination of the basic principles and inner mechanics of matter . . . Moving from pure principles to real applications, the Quantum Chemistry Workbook is a step-by-step study guide to the inner workings of nature's fundamental systems: free atoms, small molecules, polymers, and crystals. Beginning with a short, clear summary of the basics of quantum mechanics, the Workbook offers a chapter-by-chapter exposition in a highly interactive exercise and question format that allows readers to work through the main concepts discussed.

### Strategies and Applications in Quantum Chemistry

- Author : Y. Ellinger,M. Defranceschi
- Publisher : Springer Science & Business Media
- Release Date : 2006-04-11
- ISBN : 9780306469305

At the time when increasing numbers of chemists are being attracted by the fascination of supposedly easy computing and associated colourful imaging, this book appears as a counterpoint. The first part focuses on fundamental concepts of quantum chemistry, covering MCSCF theory, perturbation treatments, basis set developments, density matrices, wave function instabilities to correlation effects, and momentum space theory. The second part is devoted to more practical studies, ranging from the characterisation of exotic interstellar molecules, the accurate determination of spectroscopic

### Group Theory and Quantum Mechanics

- Author : Michael Tinkham
- Publisher : Courier Corporation
- Release Date : 2012-04-20
- ISBN : 9780486131665

This graduate-level text develops the aspects of group theory most relevant to physics and chemistry (such as the theory of representations) and illustrates their applications to quantum mechanics. The first five chapters focus chiefly on the introduction of methods, illustrated by physical examples, and the final three chapters offer a systematic treatment of the quantum theory of atoms, molecules, and solids. The formal theory of finite groups and their representation is developed in Chapters 1 through 4 and illustrated by examples from

### Quantum Physics for Scientists and Technologists

- Author : Paul Sanghera
- Publisher : John Wiley & Sons
- Release Date : 2011-03-08
- ISBN : 0470922699

Quantum Physics for Scientists and Technologists is a self-contained, comprehensive review of this complex branch of science. The book demystifies difficult concepts and views the subject through non-physics fields such as computer science, biology, chemistry, and nanotechnology. It explains key concepts and phenomena in the language of non-physics majors and with simple math, assuming no prior knowledge of the topic. This cohesive book begins with the wavefunction to develop the basic principles of quantum mechanics such as the uncertainty principle

### Quantum Mechanics

- Author : Roy McWeeny
- Publisher : Courier Corporation
- Release Date : 2012-05-23
- ISBN : 9780486143804

Focusing on main principles of quantum mechanics and their immediate consequences, this graduate student-oriented volume develops the subject as a fundamental discipline, opening with review of origins of Schrödinger's equations and vector spaces.

### The Application of Quantum Mechanics in Reactivity of Molecules

- Author : Sérgio F. Sousa
- Publisher : MDPI
- Release Date : 2021-03-19
- ISBN : 9783036506586

Over recent decades, the increase in computational resources, coupled with the popularity of competitive quantum mechanics alternatives (particularly DFT), has promoted the widespread penetration of quantum mechanics calculations into a variety of fields targeting the reactivity of molecules. This book presents a selection of original research papers and review articles illustrating diverse applications of quantum mechanics in the study of problems involving molecules and their reactivity.

### Quantum Chemistry

- Author : Tamás Veszprémi,Miklós Fehér
- Publisher : Springer Science & Business Media
- Release Date : 2012-12-06
- ISBN : 9781461541899

`Quantum Chemistry [the branch of Computational Chemistry that applies the laws of Quantum Mechanics to chemical systems] is one of the most dynamic fields of contemporary chemistry, providing a solid foundation for all of chemistry, and serving as the basis for practical, computational methodologies with applications in virtually all branches of chemistry ... The increased sophistication, accuracy and scope of the theory of chemistry are due to a large extent to the spectacular development of quantum chemistry, and in this book