The Quantum Theory of Atoms in Molecules (eBook, PDF)
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Lieferung aus: Deutschland, Download sofort lieferbar.
From Solid State to DNA and Drug Design, eBooks, eBook Download (PDF), 1. Auflage, This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clearly structured, the text begins with advances in theory before moving on to theoretical studies of chemical bonding and reactivity. There follow separate sections on solid state and surfaces as well as experimental electron densities, before finishing with applications in biological sciences and drug-design. The result is a must-have for physicochemists, chemists, physicists, spectroscopists and materials scientists.

Lieferung aus: Deutschland, Versandkostenfrei.
The Quantum Theory of Atoms in Molecules: This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clearly structured, the text begins with advances in theory before moving on to theoretical studies of chemical bonding and reactivity. There follow separate sections on solid state and surfaces as well as experimental electron densities, before finishing with applications in biological sciences and drug-design. The result is a must-have for physicochemists, chemists, physicists, spectroscopists and materials scientists. Englisch, Ebook.

Lieferung aus: Deutschland, sofort lieferbar.
2007, 567 Seiten, Englisch, This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clearly structured, the text begins with advances in theory before moving on to theoretical studies of chemical bonding and reactivity. There follow separate sections on solid state and surfaces as well as experimental electron densities, before finishing with applications in biological sciences and drug-design.The result is a must-have for physicochemists, chemists, physicists, spectroscopists and materials scientists.

Lieferung aus: Vereinigtes Königreich Großbritannien und Nordirland, Despatched same working day before 3pm.
This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clearly structured, the text begins with advances in theory before moving on to theoretical studies of chemical bonding and reactivity. There follow separate sections on solid state and surfaces as well as experimental electron densities, before finishing with applications in biological sciences and drug-design. The result is a must-have for physicochemists, chemists, physicists, spectroscopists and materials scientists.

Lieferung aus: Deutschland, zzgl. Versandkosten.
This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clearly structured, the text begins with advances in theory before moving on to theoretical studies of chemical bonding and reactivity. There follow separate sections on solid state and surfaces as well as experimental electron densities, before finishing with applications in biological sciences and drug-design.The result is a must-have for physicochemists, chemists, physicists, spectroscopists and materials scientists.

Lieferung aus: Deutschland, sofort lieferbar.
This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clearly structured, the text begins with advances in theory before moving on to theoretical studies of chemical bonding and reactivity. There follow separate sections on solid state and surfaces as well as experimental electron densities, before finishing with applications in biological sciences and drug-design.The result is a must-have for physicochemists, chemists, physicists, spectroscopists and materials scientists.

Lieferung aus: Deutschland, zzgl. Versandkosten, Sofort lieferbar (Download).
From Solid State to DNA and Drug Design, From Solid State to DNA and Drug Design.

Lieferung aus: Vereinigte Staaten von Amerika, Versandkostenfrei.
Von Händler/Antiquariat, Book Deals [60506629], Lewiston, NY, U.S.A.
Brand New, Unread Copy in Perfect Condition. A+ Customer Service! Summary: Foreword.Preface.List of Abbreviations Appearing in this Volume.List of Contributors.1 An Introduction to the Quantum Theory of Atoms in Molecules (ChA'rif F. Matta and Russell J. Boyd).1.1 Introduction.1.2 The Topology of the Electron Density.1.3 The Topology of the Electron Density Dictates the Form of Atoms in Molecules.1.4 The Bond and Virial Paths, and the Molecular and Virial Graphs.1.5 The Atomic Partitioning of Molecular Properties.1.6 The Nodal Surface in the Laplacian as the Reactive Surface of a Molecule.1.7 Bond Properties.1.8 Atomic Properties.1.9 "Practical" Uses and Utility of QTAIM Bond and Atomic Properties.1.10 Steps of a Typical QTAIM Calculation.References.Part I Advances in Theory.2 The Lagrangian Approach to Chemistry (Richard F. W. Bader).2.1 Introduction.2.2 The Lagrangian Approach.2.3 The Action Principle in Quantum Mechanics.2.4 From Schr'dinger to Schwinger.2.5 Molecular Structure and Structural Stability.2.6 Re.ections and the Future.References.3 Atomic Response Properties (Todd A. Keith).3.1 Introduction.3.2 Apparent Origin-dependence of Some Atomic Response Properties.3.3 Bond Contributions to "Null" Molecular Properties.3.4 Bond Contributions to Atomic Charges in Neutral Molecules.3.5 Atomic Contributions to Electric Dipole Moments of Neutral Molecules.3.6 Atomic Contributions to Electric Polarizabilities.3.7 Atomic Contributions to Vibrational Infrared Absorption Intensities.3.8 Atomic Nuclear Virial Energies.3.9 Atomic Contributions to Induced Electronic Magnetic Dipole Moments.3.10 Atomic Contributions to Magnetizabilities of Closed-Shell Molecules.References.4 QTAIM Analysis of Raman Scattering Intensities: Insights into the Relationship Between Molecular Structure and Electronic Charge Flow (Kathleen M. Gough, Richard Dawes, Jason R. Dwyer, and Tammy L. Welshman).4.1 Introduction.4.2 Background to the Problem.4.3 Methodology.4.4 Speci.c Examples of the Use of AIM2000 Software to Analyze Raman Intensities.4.5 Patterns in I? That Are Discovered Through QTAIM.4.6 Patterns in qa/qr CH That Apply Across Di.erent Structures, Conformations, Molecular Types: What is Transferable?4.7 What Can We Deduce From Simple Inspection of /r CH and /r CC From Gaussian?4.8 Conclusion.References.5 Topological Atom-Atom Partitioning of Molecular Exchange Energy and its Multipolar Convergence (Michel Rafat and Paul L. A. Popelier).5.1 Introduction.5.2 Theoretical Background.5.3 Details of Calculations.5.4 Results and Discussion.5.5 Conclusion.References.6 The ELF Topological Analysis Contribution to Conceptual Chemistry and Phenomenological Models (Bernard Silvi and Ronald J. Gillespie).6.1 Introduction.6.2 Why ELF and What is ELF?6.3 Concepts from the ELF Topology.6.4 VSEPR Electron Domains and the Volume of E.

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Lieferung aus: Deutschland, Versandkostenfrei in der BRD, sofort lieferbar.
From Solid State to DNA and Drug Design, Buch, Hardcover, 1. Auflage.