density functional theory molecules (27 Ergebnisse)

Hardcover. Zustand: Sehr gut. XIV, 182 S.; Ill. Very good. Shrink wrapped. Sprache: Englisch Gewicht in Gramm: 570.

Zustand: Gut. Zustand: Gut | Seiten: 332 | Sprache: Englisch | Produktart: Bücher | Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics. This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory. For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.

Zustand: Good. Good condition. A copy that has been read but remains intact. May contain markings such as bookplates, stamps, limited notes and highlighting, or a few light stains.

Zustand: Sehr gut. Zustand: Sehr gut | Sprache: Englisch | Produktart: Bücher | Keine Beschreibung verfügbar.

Taschenbuch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - Quantum-mechanical interpretation of density functional theory.- Application of density functional theory to the calculation of force fields and vibrational frequencies of transition metal complexes.- Structure and spectroscopy of small atomic clusters.- Density functional theory of clusters of nontransition metals using simple models.

Taschenbuch. Zustand: Neu. Structure and Reactivity of few Anti-TB Drug Molecules | A Density Functional Theory Approach | Kalyan Kr Hazarika | Taschenbuch | 100 S. | Englisch | 2016 | LAP LAMBERT Academic Publishing | EAN 9783659909795 | Verantwortliche Person für die EU: BoD - Books on Demand, In de Tarpen 42, 22848 Norderstedt, info[at]bod[dot]de | Anbieter: preigu.

Taschenbuch. Zustand: Neu. Density Functional Theory III | Interpretation, Atoms, Molecules and Clusters | R. F. Nalewajski | Taschenbuch | xviii | Englisch | 2013 | Springer-Verlag GmbH | EAN 9783662148396 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.

Taschenbuch. Zustand: Neu. The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State | N. I. Gidopoulos (u. a.) | Taschenbuch | xviii | Englisch | 2011 | Springer | EAN 9789048165087 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.

Taschenbuch. Zustand: Neu. Density Functional Theory of Molecules, Clusters, and Solids | D. E. Ellis | Taschenbuch | viii | Englisch | 2012 | Springer | EAN 9789401042185 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.

Taschenbuch. Zustand: Neu. Density Functional Theory of Atoms, Molecules, and Solids | Development of Accurate Semilocal Approximations for Exchange and Correlation | Jianmin Tao | Taschenbuch | Einband - flex.(Paperback) | Englisch | 2010 | VDM Verlag Dr. Müller | EAN 9783639278583 | Verantwortliche Person für die EU: OmniScriptum GmbH & Co. KG, Bahnhofstr. 28, 66111 Saarbrücken, info[at]akademikerverlag[dot]de | Anbieter: preigu.

Zustand: Fair. Volume 16. This is an ex-library book and may have the usual library/used-book markings inside.This book has soft covers. In fair condition, suitable as a study copy. Please note the Image in this listing is a stock photo and may not match the covers of the actual item,700grams, ISBN:9780195092769.

Zustand: New. This is a Brand-new US Edition. This Item may be shipped from US or any other country as we have multiple locations worldwide.

paperback. Zustand: Gut. Auflage: Reprint. 352 Seiten leichter Knick am Cover, kleine Lagerspuren am Buch, Inhalt einwandfrei und ungelesen 507003 Sprache: Englisch Gewicht in Gramm: 560.

Paperback. Zustand: Brand New. 100 pages. 8.66x5.91x0.23 inches. In Stock.

Paperback. Zustand: Brand New. 204 pages. 9.25x6.10x0.46 inches. In Stock.

Buch. Zustand: Neu. Neuware -Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics.This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory.For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry. 332 pp. Englisch.

Taschenbuch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics. This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory. For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.

Buch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics. This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory. For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.

Paperback. Zustand: Brand New. 1995 edition. 320 pages. 9.45x6.30x0.75 inches. In Stock.

Hardcover. Zustand: Very Good. 1st Edition. xviii, 228pp, with diagrams, charts etc. in text. In laminated card covers. Tall 8vo. Very slightly pushed at spine ends else neat, clean, bright and tight throughout. A collection of papers and essays regarding electron density, density matrices and density functional theory. Hard to find title.

Zustand: good. Befriedigend/Good: Durchschnittlich erhaltenes Buch bzw. Schutzumschlag mit Gebrauchsspuren, aber vollständigen Seiten. / Describes the average WORN book or dust jacket that has all the pages present.

Taschenbuch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - This volume records the proceedings of a Forum on The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State held at the Coseners' House, Abingdon-on-Thames, Oxon. over the period 31st May - 2nd June, 2002. The forum consisted of 26 oral and poster presentations followed by a discussion structure around questions and comments submitted by the participants (and others who had expressed an interest) in advance of the meeting. Quantum mechanics provides a theoretical foundation for our under standing of the structure and properties of atoms, molecules and the solid state in terms their component particles, electrons and nuclei. (Rel ativistic quantum mechanics is required for molecular systems contain ing heavy atoms.) However, the solution of the equations of quantum mechanics yields a function, a wave function, which depends on the co ordinates, both space and spin, of all of the particles in the system. This functions contains much more information than is required to yield the energy or other property.

Zustand: New. pp. 248 Illus.

Zustand: New. This volume records the proceedings of a Forum on The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State held at the Coseners House, Abingdon-on-Thames, Oxon. over the period 31st May - 2n.

Paperback. Zustand: Brand New. 246 pages. 9.25x6.10x0.56 inches. In Stock.

Hardcover. Zustand: Brand New. 1st edition. 244 pages. 9.50x6.50x0.50 inches. In Stock.

Buch. Zustand: Neu. Neuware - This volume records the proceedings of a Forum on The Fundamentals of Electron Density, Density Matrix and Density Functional Theory in Atoms, Molecules and the Solid State held at the Coseners' House, Abingdon-on-Thames, Oxon. over the period 31st May - 2nd June, 2002. The forum consisted of 26 oral and poster presentations followed by a discussion structure around questions and comments submitted by the participants (and others who had expressed an interest) in advance of the meeting. Quantum mechanics provides a theoretical foundation for our under standing of the structure and properties of atoms, molecules and the solid state in terms their component particles, electrons and nuclei. (Rel ativistic quantum mechanics is required for molecular systems contain ing heavy atoms.) However, the solution of the equations of quantum mechanics yields a function, a wave function, which depends on the co ordinates, both space and spin, of all of the particles in the system. This functions contains much more information than is required to yield the energy or other property.