Reviews In Computational Chemistry

Reviews in Computational Chemistry PDF
Author: Abby L. Parrill
Publisher: John Wiley & Sons
ISBN: 1119355435
Size: 23.29 MB
Format: PDF, ePub, Docs
Category : Science
Languages : en
Pages : 388
View: 3403

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The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling. • Provides background and theory, strategies for using the methods correctly, pitfalls to avoid, applications, and references • Contains updated and comprehensive compendiums of molecular modeling software that list hundreds of programs, services, suppliers and other information that every chemist will find useful • Includes detailed indices on each volume help the reader to quickly discover particular topics • Uses a tutorial manner and non-mathematical style, allowing students and researchers to access computational methods outside their immediate area of expertise

Reviews In Computational Chemistry

Reviews in Computational Chemistry PDF
Author: Kenny B. Lipkowitz
Publisher: John Wiley & Sons
ISBN: 0471720887
Size: 74.31 MB
Format: PDF, Docs
Category : Science
Languages : en
Pages : 472
View: 7589

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REVIEWS IN COMPUTATIONAL CHEMISTRY Kenny B. Lipkowitz, Raima Larter, and Thomas R. Cundari This volume, like those prior to it, features chapters by expertsin various fields of computational chemistry. TOPICS COVERED INVolume 21 iNCLUDE AB INITIO QUANTUM SIMULATION IN SOLID STATECHEMISTRY; MOLECULAR QUANTUM SIMILARITY; ENUMERATING MOLECULES;VARIABLE SELECTION; BIOMOLECULAR APPLICATIONS OF POISSON-BOLTZMANNMETHODS; AND DATA SOURCES AND COMPUTATIONAL APPROACHES FORGENERATING MODELS OF GENE REGULATORY NETWORKS. FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry remains the most valuablereference to methods and techniques in computationalchemistry." --JOURNAL OF MOLECULAR GRAPHICS AND MODELLING "One cannot generally do better than to try to find an appropriatearticle in the highly successful Reviews in ComputationalChemistry. The basic philosophy of the editors seems to be to helpthe authors produce chapters that are complete, accurate, clear,and accessible to experimentalists (in particular) and othernonspecialists (in general)." --JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reviews In Computational Chemistry

Reviews in Computational Chemistry PDF
Author: Abby L. Parrill
Publisher: Wiley
ISBN: 1119518024
Size: 44.67 MB
Format: PDF, Docs
Category : Science
Languages : en
Pages : 368
View: 1504

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The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics in Volume 31 include: Lattice-Boltzmann Modeling of Multicomponent Systems: An Introduction Modeling Mechanochemistry from First Principles Mapping Energy Transport Networks in Proteins The Role of Computations in Catalysis The Construction of Ab Initio Based Potential Energy Surfaces Uncertainty Quantification for Molecular Dynamics

Annual Reports In Computational Chemistry

Annual Reports in Computational Chemistry PDF
Author: David C. Spellmeyer
Publisher: Elsevier
ISBN: 9780080460307
Size: 61.43 MB
Format: PDF
Category : Science
Languages : en
Pages : 263
View: 1496

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Annual Reports in Computational Chemistry is a new periodical providing timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Each volume is organized into (thematic) sections with contributions written by experts. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Annual Reports in Computational Chemistry is a 'must' for researchers and students wishing to stay up-to-date on current developments in computational chemistry. * Broad coverage of computational chemistry and up-to-date information * The topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings * Each chapter reviews the most recent literature on a specific topic of interest to computational chemists

Molek Lphysik Und Quantenchemie

Molek  lphysik und Quantenchemie PDF
Author: Hermann Haken
Publisher: Springer-Verlag
ISBN: 3662088320
Size: 75.44 MB
Format: PDF, ePub, Mobi
Category : Science
Languages : de
Pages : 416
View: 2249

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Dieses Lehrbuch wendet sich an Studenten der Physik, der Physikalischen Chemie und der Theoretischen Chemie. Aufbauend auf Grundkenntnissen der Atom- und Quantenphysik vemitteln die Autoren den Stoff, der zum Grundwissen eines jeden Physikstudenten gehört. Für den Studenten der Chemie bedeuten die in diesem Buch vorgestellten Konzepte das theoretische Grundgerüst für sein Fachgebiet. Dieses Gerüst befähigt ihn, den ungeheuren Erfahrungsschatz der Chemie auf wenige Prinzipien, nämlich die der Quantentheorie, zurückzuführen. Zwei untrennbar miteinander verknüpfte Themenbereiche werden behandelt: die chemische Bindung und die physikalischen Eigenschaften der Moleküle. Erstmals behandelt ein Lehrbuch die Molekülphysik und Quantenchemie in dieser Kombination mit der Zielsetzung, das Grundlegende und Typische herauszuarbeiten, und so dem Studenten einen Überblick über dieses so wichtige und reizvolle Gebiet zu vermitteln. Darüber hinaus vermittelt das Buch Ausblicke auf neue Entwicklungen, etwa die Erforschung der Photosynthese, die Physik supramolekularer Funktionseinheiten und die molekulare Mikroelektronik.

Annual Reports In Computational Chemistry

Annual Reports in Computational Chemistry PDF
Author: Ralph A. Wheeler
Publisher: Elsevier
ISBN: 0444535527
Size: 65.74 MB
Format: PDF, ePub
Category : Science
Languages : en
Pages : 324
View: 7086

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Annual Reports in Computational Chemistry is a new periodical providing timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Each volume is organized into (thematic) sections with contributions written by experts. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Annual Reports in Computational Chemistry is a "must" for researchers and students wishing to stay up-to-date on current developments in computational chemistry. * Broad coverage of computational chemistry and up-to-date information * Topics covered include bioinformatics, drug discovery, protein NMR, simulation methodologies, and applications in academic and industrial settings * Each chapter reviews the most recent literature on a specific topic of interest to computational chemists

Spektroskopische Methoden In Der Organischen Chemie

Spektroskopische Methoden in der organischen Chemie PDF
Author: Stefan Bienz
Publisher: Georg Thieme Verlag
ISBN: 3131793694
Size: 43.67 MB
Format: PDF, Docs
Category : Science
Languages : de
Pages : 456
View: 6279

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Dieses Standardwerk vermittelt alle notwendigen Kenntnisse für die Anwendung der spektroskopischen Methoden in der organischen Chemie. Einführende Grundlagentexte erläutern die Theorie, anschauliche Beispiele die Umsetzung in der Praxis. Dieses Buch ist Pflichtlektüre für Studierende der Chemie und Nachschlagewerk für Profis. Die 9. Auflage ist komplett überarbeitet und erweitert. Insbesondere das NMR-Kapitel und dessen 13C-NMR-Teil sind stark verändert gegenüber der Vorauflage. In aktualisierter Form präsentiert sich das Kapitel zum Umgang mit Spektren und analytischen Daten: Es erklärt die kombinierte Anwendung der Spektroskopie, enthält Anleitungen zur Interpretation analytischer Daten, hilft bei der Strukturaufklärung/-überprüfung und bietet Praxisbeispiele. Zusätzlich finden Nutzer des Buches Beispiele zur Interpretation analytischer Daten und Strukturaufklärung mit Lösungen kostenfrei auf unserer Website. Dozenten erhalten auf Anfrage alle Spektren des Werks zum Download.

Tabellen Zur Strukturaufkl Rung Organischer Verbindungen

Tabellen zur Strukturaufkl  rung organischer Verbindungen PDF
Author: Ernö Pretsch
Publisher: Springer-Verlag
ISBN: 366210203X
Size: 28.32 MB
Format: PDF, ePub, Mobi
Category : Science
Languages : de
Pages : 416
View: 6290

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Für die 3. Auflage des bewährten Tabellenwerkes zur Strukturaufklärung organischer Verbindungen wurden die Kapitel über Kernresonanz-, Infrarot- und Massenspektroskopie erweitert und auf den neuesten Stand gebracht. Für Studenten der Chemie und benachbarter Gebiete ist das Werk ein unverzichtbares Nachschlagewerk in den Praktika zur Spektroskopie und Strukturaufklärung.

Annual Reports In Computational Chemistry

Annual Reports in Computational Chemistry PDF
Author:
Publisher: Elsevier
ISBN: 044463682X
Size: 60.95 MB
Format: PDF, ePub
Category : Science
Languages : en
Pages : 436
View: 140

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Annual Reports in Computational Chemistry provides timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Quantum chemistry Molecular mechanics Force fields Chemical education and applications in academic and industrial settings

Annual Reports In Computational Chemistry

Annual Reports in Computational Chemistry PDF
Author: David A. Dixon
Publisher: Elsevier
ISBN: 9780128245835
Size: 46.94 MB
Format: PDF, ePub, Mobi
Category : Science
Languages : en
Pages : 312
View: 4792

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Annual Reports in Computational Chemistry, Volume 17, provides timely and critical reviews of important topics in computational chemistry. Topics covered in this series include quantum chemistry, molecular mechanics, force fields, chemical education, and applications in academic and industrial settings. Focusing on the most recent literature and advances in the field, each article covers a specific topic of importance to computational chemists. Includes timely discussions on quantum chemistry and molecular mechanics Covers force fields, chemical education, and more Presents the latest in chemical education and applications in both academic and industrial settings

Atom Und Quantenphysik

Atom  und Quantenphysik PDF
Author: H. Haken
Publisher: Springer-Verlag
ISBN: 3642965555
Size: 45.21 MB
Format: PDF, Mobi
Category : Science
Languages : de
Pages :
View: 4852

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Introduction To Computational Chemistry

Introduction to Computational Chemistry PDF
Author: Frank Jensen
Publisher: John Wiley & Sons
ISBN: 1118825993
Size: 40.46 MB
Format: PDF
Category : Science
Languages : en
Pages : 660
View: 4935

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Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields Tight-binding DFT More extensive DFT functionals, excited states and time dependent molecular properties Accelerated Molecular Dynamics methods Tensor decomposition methods Cluster analysis Reduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3

Methods In Computational Chemistry

Methods in Computational Chemistry PDF
Author: Stephen Wilson
Publisher: Springer Science & Business Media
ISBN: 1489916393
Size: 36.53 MB
Format: PDF, ePub, Mobi
Category : Science
Languages : en
Pages : 349
View: 6338

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Providing specialist reviews and analyses of contemporary theories, algorithms, and techniques, this series aims to facilitate the effective exploitation of available computing power. The current volume focuses on the theoretical determination of atomic and molecular properties as related to wave functions, electron densities, and total energies.

Molek Lorbitale Und Reaktionen Organischer Verbindungen

Molek  lorbitale und Reaktionen organischer Verbindungen PDF
Author: Ian Fleming
Publisher: John Wiley & Sons
ISBN: 3527330690
Size: 12.75 MB
Format: PDF, ePub, Docs
Category : Chemical bonds
Languages : de
Pages : 399
View: 6241

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Der lang erwartete Nachfolger des Klassikers "Grenzorbitale und Reaktionen organischer Verbindungen". Die Molekülorbitalheorie wird einfach, ohne komplizierte mathematische Formeln und mit vielen illustrativen Beispielen erklärt.