Advanced Topics in Theoretical Chemical Physics
Advanced Topics in Theoretical Chemical Physics

Author: J. Maruani

Publisher: Springer Science & Business Media

Published: 2013-11-27

Total Pages: 528

ISBN-13: 9401706352

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Advanced Topics in Theoretical Chemical Physics is a collection of 20 selected papers from the scientific presentations of the Fourth Congress of the International Society for Theoretical Chemical Physics (ISTCP) held at Marly-le-Roi, France, in July 2002. Advanced Topics in Theoretical Chemical Physics encompasses a broad spectrum in which scientists place special emphasis on theoretical methods in chemistry and physics. The chapters in the book are divided into five sections: I: Advances Chemical Thermodynamics II: Electronic Structure of Molecular Systems III: Molecular Interaction and Dynamics IV: Condensed Matter V: Playing with Numbers This book is an invaluable resource for all academics and researchers interested in theoretical, quantum or statistical, chemical physics or physical chemistry. It presents a selection of some of the most advanced methods, results and insights in this exciting area.

Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology
Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology

Author: Alexander V. Glushkov

Publisher: Springer Nature

Published: 2021-06-29

Total Pages: 358

ISBN-13: 3030683141

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This book reviews the most significant advances in concepts, methods, and applications of quantum systems in a broad variety of problems in modern chemistry, physics, and biology. In particular, it discusses atomic, molecular, and solid structure, dynamics and spectroscopy, relativistic and correlation effects in quantum chemistry, topics of computational chemistry, physics and biology, as well as applications of theoretical chemistry and physics in advanced molecular and nano-materials and biochemical systems. The book contains peer-reviewed contributions written by leading experts in the fields and based on the presentations given at the Twenty-Fourth International Workshop on Quantum Systems in Chemistry, Physics, and Biology held in Odessa, Ukraine, in August 2019. This book is aimed at advanced graduate students, academics, and researchers, both in university and corporation laboratories, interested in state-of-the-art and novel trends in quantum chemistry, physics, biology, and their applications.

Recent Advances in the Theory of Chemical and Physical Systems
Recent Advances in the Theory of Chemical and Physical Systems

Author: Jean-Pierre Julien

Publisher: Springer Science & Business Media

Published: 2006-05-05

Total Pages: 586

ISBN-13: 140204528X

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Advances in the Theory of Chemical and Physical Systems is a collection of 26 selected papers from the scientific presentations made at the 9th European Workshop on Quantum Systems in Chemistry and Physics (QSCP-IX) held at Les Houches, France, in September 2004. This volume encompasses a spectrum of developing topics in which scientists place special emphasis on theoretical methods in the study of chemical and physical properties of various systems: Quantum Chemical Methods (including CC and DFT for excited states) Relativistic and Heavy-Element Systems (including radiative and nuclear effects)Complexes and Clusters (including metal complexes and clusters) Complex Systems (including quasicrystals, nanotubes and proteins).

Advances in Chemical Physics: Special Volume in Memory of Ilya Prigogine, Volume 135
Advances in Chemical Physics: Special Volume in Memory of Ilya Prigogine, Volume 135

Author: Stuart A. Rice

Publisher: John Wiley & Sons

Published: 2007-03-30

Total Pages: 348

ISBN-13: 0471682330

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This series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. This stand-alone special topics volume reports recent advances in electron-transfer research with significant, up-to-date chapters by internationally recognized researchers.

Chemical Physics and Quantum Chemistry
Chemical Physics and Quantum Chemistry

Author:

Publisher: Academic Press

Published: 2020-09-18

Total Pages: 350

ISBN-13: 0128197587

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Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. - Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology - Features detailed reviews written by leading international researchers - Topics include: New advances in Quantum Chemical Physics; Original theory and a contemporary overview of the field of Theoretical Chemical Physics; State-of-the-Art calculations in Theoretical Chemistry

Advances in the Theory of Atomic and Molecular Systems
Advances in the Theory of Atomic and Molecular Systems

Author: Piotr Piecuch

Publisher: Springer Science & Business Media

Published: 2009-09-30

Total Pages: 447

ISBN-13: 9048125960

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Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled: Conceptual and Computational Advances in Quantum Chemistry) focuses on electronic structure theory and its foundations. This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering.

Advances in Mathematical Chemistry and Applications: Volume 1
Advances in Mathematical Chemistry and Applications: Volume 1

Author: Subhash C. Basak

Publisher: Elsevier

Published: 2016-02-11

Total Pages: 378

ISBN-13: 1681081970

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Advances in Mathematical Chemistry and Applications highlights the recent progress in the emerging discipline of discrete mathematical chemistry. Editors Subhash C. Basak, Guillermo Restrepo, and Jose Luis Villaveces have brought together 27 chapters written by 68 internationally renowned experts in these two volumes. Each volume comprises a wise integration of mathematical and chemical concepts and covers numerous applications in the field of drug discovery, bioinformatics, chemoinformatics, computational biology, mathematical proteomics, and ecotoxicology. Volume 1 includes chapters on mathematical structural descriptors of molecules and biomolecules, applications of partially ordered sets (posets) in chemistry, optimal characterization of molecular complexity using graph theory, different connectivity matrices and their polynomials, use of 2D fingerprints in similarity-based virtual screening, mathematical approaches to molecular structure generation, comparability graphs, applications of molecular topology in drug design, density functional theory of chemical reactivity, application of mathematical descriptors in the quantification of drug-likeness, utility of pharmacophores in drug design, and much more. - Brings together both the theoretical and practical aspects of the fundamental concepts of mathematical chemistry - Covers applications in diverse areas of physics, chemistry, drug discovery, predictive toxicology, systems biology, chemoinformatics, and bioinformatics - Revised 2015 edition includes a new chapter on the current landscape of hierarchical QSAR modelling - About half of the book focuses primarily on current work, new applications, and emerging approaches for the mathematical characterization of essential aspects of molecular structure, while the other half describes applications of structural approach to new drug discovery, virtual screening, protein folding, predictive toxicology, DNA structure, and systems biology

Advances in Quantum Systems in Chemistry, Physics, and Biology
Advances in Quantum Systems in Chemistry, Physics, and Biology

Author: Liliana Mammino

Publisher: Springer Nature

Published: 2020-02-05

Total Pages: 472

ISBN-13: 3030349411

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This edited, multi-author book gathers selected, peer-reviewed contributions based on papers presented at the 23rd International Workshop on Quantum Systems in Chemistry, Physics, and Biology (QSCP-XXIII), held in Mopani Camp, The Kruger National Park, South Africa, in September 2018. The content is primarily intended for scholars, researchers, and graduate students working at universities and scientific institutes who are interested in the structure, properties, dynamics, and spectroscopy of atoms, molecules, biological systems, and condensed matter.

Topics in the Theory of Chemical and Physical Systems
Topics in the Theory of Chemical and Physical Systems

Author: Jean Maruani

Publisher: Springer Science & Business Media

Published: 2007-04-03

Total Pages: 301

ISBN-13: 1402054602

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This volume contains a selection of papers presented at the 10th European Workshop on Quantum Systems in Chemistry and Physics, held in Tunisia, from September 1st to 7th, 2005. The workshop’s aim was to bring together chemists and physicists with a common interest in the quantum-mechanical many-body problem. The volume offers unique insights into the fields of quantum chemical methods, molecular structure and spectroscopy, complexes and clusters.

Advances in Physical Organic Chemistry
Advances in Physical Organic Chemistry

Author:

Publisher: Academic Press

Published: 2020-10-22

Total Pages: 194

ISBN-13: 0128218215

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Advances in Physical Organic Chemistry, Volume 54, presents the latest reviews of recent work in physical organic chemistry. The book provides a valuable source of information that is ideal not only for physical organic chemists applying their expertise to both novel and traditional problems, but also for non-specialists across diverse areas who identify a physical organic component in their approach to research. Its hallmark is a quantitative, molecular level understanding of phenomena across a diverse range of disciplines. - Reviews the application of quantitative and mathematical methods to help readers understand chemical problems - Provides the chemical community with authoritative and critical assessments of the many aspects of physical organic chemistry - Covers organic, organometallic, bioorganic, enzymes and materials topics - Presents the only regularly published resource for reviews in physical organic chemistry - Written by authoritative experts who cover a wide range of topics that require a quantitative, molecular-level understanding of phenomena across a diverse range of disciplines