Principles and Applications of Quantum Chemistry

Written By V.P. Gupta
Principles and Applications of Quantum Chemistry
  • Publsiher : Academic Press
  • Release : 15 October 2015
  • ISBN : 0128035013
  • Pages : 478 pages
  • Rating : /5 from reviews
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Download or read book entitled Principles and Applications of Quantum Chemistry by author: V.P. Gupta which was release on 15 October 2015 and published by Academic Press with total page 478 pages . This book available in PDF, EPUB and Kindle Format. 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

Principles and Applications of Quantum Chemistry
  • Author : V.P. Gupta
  • Publisher : Academic Press
  • Release Date : 2015-10-15
  • Total pages : 478
  • ISBN : 0128035013
GET BOOK

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. ...

Computational Chemistry and Molecular Modeling

Computational Chemistry and Molecular Modeling
  • Author : K. I. Ramachandran,Gopakumar Deepa,Krishnan Namboori
  • Publisher : Springer Science & Business Media
  • Release Date : 2008-06-13
  • Total pages : 398
  • ISBN : 0128035013
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Summary : The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. ...

Principles and Applications of Density Functional Theory in Inorganic Chemistry II

Principles and Applications of Density Functional Theory in Inorganic Chemistry II
  • Author : N. Kaltsoyannis,J.E. McGrady
  • Publisher : Springer
  • Release Date : 2004-08-19
  • Total pages : 244
  • ISBN : 0128035013
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Summary : It is difficult to overestimate the impact that density functional theory has had on computational quantum chemistry over the last two decades. Indeed, this period has seen it grow from little more than a theoreticalcuriosity to become a central tool in the computational chemist s armoury. Arguably no area of ...

QUANTUM MECHANICS IN PHYSICS AND CHEMISTRY WITH APPLICATIONS TO BIOLOGY

QUANTUM MECHANICS IN PHYSICS AND CHEMISTRY WITH APPLICATIONS TO BIOLOGY
  • Author : RABI MAJUMDAR
  • Publisher : PHI Learning Pvt. Ltd.
  • Release Date : 2014-12-03
  • Total pages : 428
  • ISBN : 0128035013
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Summary : 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 ...

Quantum Mechanics Principles and Applications

Quantum Mechanics  Principles and Applications
  • Author : Marcelo Alonso,Henry Valk
  • Publisher : Addison Wesley Publishing Company
  • Release Date : 1973
  • Total pages : 641
  • ISBN : 0128035013
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Summary : Read online Quantum Mechanics Principles and Applications written by Marcelo Alonso,Henry Valk, published by Addison Wesley Publishing Company which was released on 1973. Download full Quantum Mechanics Principles and Applications Books now! Available in PDF, ePub and Kindle....

Quantum Mechanics

Quantum Mechanics
  • Author : Louis Marchildon
  • Publisher : Springer Science & Business Media
  • Release Date : 2002-05-13
  • Total pages : 560
  • ISBN : 0128035013
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Summary : This advanced text develops first the underlying concepts of quantum mechanics, thus starting with state spaces of finite dimension followed by the representation of coordinates with their principal formal elements, and their applications such as the harmonic oscillator, magnetic momentum, the hydrogen atom, stationary perturbations etc. This fresh and original ...

Quantum Information Processing with Diamond

Quantum Information Processing with Diamond
  • Author : Steven Prawer,Igor Aharonovich
  • Publisher : Elsevier
  • Release Date : 2014-05-12
  • Total pages : 345
  • ISBN : 0128035013
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Summary : Diamond nitrogen vacancy (NV) color centers can transform quantum information science into practical quantum information technology, including fast, safe computing. Quantum Information Processing with Diamond looks at the principles of quantum information science, diamond materials, and their applications. Part one provides an introduction to quantum information processing using diamond, as ...

Principles of Quantum Chemistry

Principles of Quantum Chemistry
  • Author : David V. George
  • Publisher : Elsevier
  • Release Date : 2013-10-22
  • Total pages : 284
  • ISBN : 0128035013
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Summary : Principles of Quantum Chemistry focuses on the application of quantum mechanics in physical models and experiments of chemical systems. This book describes chemical bonding and its two specific problems — bonding in complexes and in conjugated organic molecules. The very basic theory of spectroscopy is also considered. Other topics include the ...

Quantum Chemistry Workbook

Quantum Chemistry Workbook
  • Author : Jean-Louis Calais
  • Publisher : Wiley-Interscience
  • Release Date : 1994-10-24
  • Total pages : 216
  • ISBN : 0128035013
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Summary : 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 ...

Introduction to Quantum Mechanics with Applications to Chemistry

Introduction to Quantum Mechanics with Applications to Chemistry
  • Author : Linus Pauling,E. Bright Wilson
  • Publisher : Courier Corporation
  • Release Date : 2012-06-08
  • Total pages : 496
  • ISBN : 0128035013
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Summary : 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 Chemistry of Solids

Quantum Chemistry of Solids
  • Author : Robert A. Evarestov
  • Publisher : Springer Science & Business Media
  • Release Date : 2007-08-16
  • Total pages : 560
  • ISBN : 0128035013
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Summary : This book delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of wave-function-based, density-based (DFT) and hybrid ...

Principles of Quantum Mechanics

Principles of Quantum Mechanics
  • Author : R. Shankar
  • Publisher : Springer Science & Business Media
  • Release Date : 2012-12-06
  • Total pages : 676
  • ISBN : 0128035013
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Summary : R. Shankar has introduced major additions and updated key presentations in this second edition of Principles of Quantum Mechanics. New features of this innovative text include an entirely rewritten mathematical introduction, a discussion of Time-reversal invariance, and extensive coverage of a variety of path integrals and their applications. Additional highlights ...

From First Principles

From First Principles
  • Author : Mark Alan Freitag
  • Publisher : Unknown
  • Release Date : 2002
  • Total pages : 406
  • ISBN : 0128035013
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Summary : For many problems, especially large ones such as discrete solute/solvent interactions, traditional quantum chemical methods become unsuitable because of the computational time required. In order to study such systems, hybrid quantum mechanics /molecular mechanics techniques have been developed, such as the Effective Fragment Potential, which is described in detail. ...

Molecular Modelling

Molecular Modelling
  • Author : Andrew R. Leach
  • Publisher : Prentice Hall
  • Release Date : 1996
  • Total pages : 595
  • ISBN : 0128035013
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Summary : This book provides a broad, practical introduction to the major techniques employed in molecular modelling and computational chemistry. It leads the reader through the relevant chemical and physical principles to an in-depth understanding of the methods....

Quantum Physics for Scientists and Technologists

Quantum Physics for Scientists and Technologists
  • Author : Paul Sanghera
  • Publisher : John Wiley & Sons
  • Release Date : 2011-03-08
  • Total pages : 544
  • ISBN : 0128035013
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Summary : 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 ...