Theoretical Chemistry in Belgium

Theoretical Chemistry in Belgium PDF Author: Benoît Champagne
Publisher: Springer Science & Business Media
ISBN: 3642413153
Category : Science
Languages : en
Pages : 277

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Book Description
Readers of this volume can take a tour around the research locations in Belgium which are active in theoretical and computational chemistry. Selected researchers from Belgium present research highlights of their work. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.

Theoretical Chemistry in Belgium

Theoretical Chemistry in Belgium PDF Author: Benoît Champagne
Publisher: Springer Science & Business Media
ISBN: 3642413153
Category : Science
Languages : en
Pages : 277

Get Book Here

Book Description
Readers of this volume can take a tour around the research locations in Belgium which are active in theoretical and computational chemistry. Selected researchers from Belgium present research highlights of their work. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.

Theoretical Chemistry 83

Theoretical Chemistry 83 PDF Author:
Publisher:
ISBN:
Category :
Languages : en
Pages : 281

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Book Description


Group Theory Applied to Chemistry

Group Theory Applied to Chemistry PDF Author: Arnout Jozef Ceulemans
Publisher: Springer Science & Business Media
ISBN: 940076863X
Category : Science
Languages : en
Pages : 276

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Book Description
Chemists are used to the operational definition of symmetry, which crystallographers introduced long before the advent of quantum mechanics. The ball-and-stick models of molecules naturally exhibit the symmetrical properties of macroscopic objects. However, the practitioner of quantum chemistry and molecular modeling is not concerned with balls and sticks, but with subatomic particles: nuclei and electrons. This textbook introduces the subtle metaphors which relate our macroscopic understanding of symmetry to the molecular world. It gradually explains how bodily rotations and reflections, which leave all inter-particle distances unaltered, affect the study of molecular phenomena that depend only on these internal distances. It helps readers to acquire the skills to make use of the mathematical tools of group theory for whatever chemical problems they are confronted with in the course of their own research.

Theoretical Chemistry 1983

Theoretical Chemistry 1983 PDF Author: William James Orville-Thomas
Publisher:
ISBN:
Category : Quantum chemistry
Languages : en
Pages :

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Book Description


Theoretical and Quantum Chemistry at the Dawn of the 21st Century

Theoretical and Quantum Chemistry at the Dawn of the 21st Century PDF Author: Tanmoy Chakraborty
Publisher: CRC Press
ISBN: 1351170953
Category : Science
Languages : en
Pages : 720

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Book Description
This volume, edited by a well-known specialist in the field of theoretical chemistry, gathers together a selection of papers on theoretical chemistry within the themes of mathematical, computational, and quantum chemistry. The authors present a rich assembly of some of the most important current research in the field of quantum chemistry in modern times. In Quantum Chemistry at the Dawn of the 21st Century, the editors aim to replicate the tradition of the fruitful Girona Workshops and Seminars, held at the University of Girona, Italy, annually for many years, which offered important scientific gatherings focusing on quantum chemistry. This volume, like the workshops, showcases a large variety of quantum chemical contributions from different points of view from some of the leading scientists in the field today. This unique volume does not pretend to provide a complete overview of quantum chemistry, but it does provide a broad set of contributions by some of the leading scientists on the field, under the expert editorship of two leaders in the field.

Theoretical Chemistry from the Standpoint of Avogadro's Rule & Thermodynamics

Theoretical Chemistry from the Standpoint of Avogadro's Rule & Thermodynamics PDF Author: Walther Nernst
Publisher:
ISBN:
Category : Avogadro's law
Languages : en
Pages : 808

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Book Description


Theoretical and Quantum Chemistry at the Dawn of the 21st Century

Theoretical and Quantum Chemistry at the Dawn of the 21st Century PDF Author: Tanmoy Chakraborty
Publisher:
ISBN: 9781771886826
Category : Chemistry, Physical and theoretical
Languages : en
Pages : 695

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Book Description
This volume, edited by a well-known specialist in the field of theoretical chemistry, gathers together a selection of papers on theoretical chemistry within the themes of mathematical, computational, and quantum chemistry. The authors present a rich assembly of some of the most important current research in the field of quantum chemistry in modern times. In Quantum Chemistry at the Dawn of the 21st Century, the editors aim to replicate the tradition of the fruitful Girona Workshops and Seminars, held at the University of Girona, Italy, annually for many years, which offered important scientific gatherings focusing on quantum chemistry. This volume, like the workshops, showcases a large variety of quantum chemical contributions from different points of view from some of the leading scientists in the field today. This unique volume does not pretend to provide a complete overview of quantum chemistry, but it does provide a broad set of contributions by some of the leading scientists on the field, under the expert editorship of two leaders in the field.

Reviews in Computational Chemistry, Volume 17

Reviews in Computational Chemistry, Volume 17 PDF Author: Kenny B. Lipkowitz
Publisher: John Wiley & Sons
ISBN: 0471458813
Category : Science
Languages : en
Pages : 431

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Book Description
Computational chemistry is increasingly used in most areas of molecular science including organic, inorganic, medicinal, biological, physical, and analytical chemistry. Researchers in these fields who do molecular modelling need to understand and stay current with recent developments. This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Two chapters focus on molecular docking, one of which relates to drug discovery and cheminformatics and the other to proteomics. In addition, this volume contains tutorials on spin-orbit coupling and cellular automata modeling, as well as an extensive bibliography of computational chemistry books. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuable reference to methods and techniques in computational chemistry."—JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriate article in the highly successful Reviews in Computational Chemistry. The basic philosophy of the editors seems to be to help the authors produce chapters that are complete, accurate, clear, and accessible to experimentalists (in particular) and other nonspecialists (in general)."—JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Mathematical Challenges from Theoretical/Computational Chemistry

Mathematical Challenges from Theoretical/Computational Chemistry PDF Author: National Research Council
Publisher: National Academies Press
ISBN: 0309050979
Category : Mathematics
Languages : en
Pages : 144

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Book Description
Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.

Advances in Chemical Physics, Volume 100

Advances in Chemical Physics, Volume 100 PDF Author: Ilya Prigogine
Publisher: John Wiley & Sons
ISBN: 047014212X
Category : Science
Languages : en
Pages : 707

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Book Description
The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.