Density functional theory molecules (27 Ergebnisse)

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

24 x 16 cm. Zustand: Gut. Volume 12. VIII, 320 Seiten ; Mit zahlreichen Figuren und Tabellen Understanding Chemical Reactivity ; Innen sauberer, guter Zustand. Hardcover, Pappeinband, mit den üblichen Bibliotheks-Markierungen, Stempeln und Einträgen, innen wie außen, siehe Bilder. (Evtl. auch Kleber- und/oder Etikettenreste, sowie -abdrücke durch abgelöste Bibliotheksschilder). Einband sehr gut erhalten. In Englisch. B09-02-05F|S91 Sprache: Englisch Gewicht in Gramm: 625.…

Hardcover. Zustand: Very Good. Zustand des Schutzumschlags: N/A. 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.…

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

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

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: preigu GmbH & Co. KG, Lengericher Landstr. 19, 49078 Osnabrück, mail[at]preigu[dot]de | 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: New. 352 pp., Paperback, NEW!! - If you are reading this, this item is actually (physically) in our stock and ready for shipment once ordered. We are not bookjackers. Buyer is responsible for any additional duties, taxes, or fees required by recipient's country. Photos available upon request.…

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: 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.

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.…

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.…

Hardcover. Zustand: gut. 1994. Density Functional Theory of Molecules, Clusters, and Solids In englischer Sprache. pages.

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

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. 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. …

Gebunden. 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.

Zustand: Used. pp. 248 Illus.

Zustand: Used. pp. 248.

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.

Zustand: As New. Unread book in perfect condition.

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. …

Zustand: New. Provides an account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. This book contains a discussion of the chemical potential and its derivatives. It is intended for physicists, chemists, and advanced students in chemistry. Series: International Series of Monographs on Chemistry. Num Pages: 352 pages, 17 illus. BIC Classification: PHM; PNRP. Category: (P) Professional & Vocational. Dimension: 229 x 153 x 22. Weight in Grams: 558. . 1994. Paperback. . . . . Books ship from the US and Ireland. …

Zustand: As New. Unread book in perfect condition.