Density functional theory principles (48 risultati)

2004. 16 x 24 cm. X, 244 S. X, 244 p. Hardcover. Versand aus Deutschland / We dispatch from Germany via Air Mail. Einband bestoßen, daher Mängelexemplar gestempelt, sonst sehr guter Zustand. Imperfect copy due to slightly bumped cover, apart from this in very good condition. Stamped. (Structure and Bonding). Sprache: Englisch.…

Hardcover. Condizione: As New. Condizione sovraccoperta: No Dust Jacket As Issued. Still shrinkwrapped ; Structure and Bonding; Vol. 112; 0.63 x 9.37 x 6.22 Inches; 194 pages.

Condizione: 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.

Condizione: Brand New. New. US edition. Expediting shipping for all USA and Europe orders excluding PO Box. Excellent Customer Service.

Condizione: 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.

Condizione: Brand New. New. US edition. Expediting shipping for all USA and Europe orders excluding PO Box. Excellent Customer Service.

Condizione: New.

Condizione: Used. pp. 212.

Condizione: As New. Unread book in perfect condition.

Condizione: 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.

Condizione: Brand New. New. US edition. Expediting shipping for all USA and Europe orders excluding PO Box. Excellent Customer Service.

Condizione: Used. pp. 212 Illus.

Condizione: New.

Condizione: As New. Unread book in perfect condition.

Condizione: Used. pp. 212.

Condizione: New. In.

Condizione: New. In.

Condizione: Used. pp. 260.

Taschenbuch. Condizione: Neu. Principles and Applications of Density Functional Theory in Inorganic Chemistry I | Nik Kaltsoyanis (u. a.) | Taschenbuch | Structure and Bonding | x | Englisch | 2013 | Springer | EAN 9783662145388 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu. …

Taschenbuch. Condizione: Neu. Druck auf Anfrage Neuware - Printed after ordering - The Calculation of NMR Parameters in Transition Metal Complexes.- Excitation Energies of Metal Complexes with Time-dependent Density Functional Theory.- Applications of Hybrid DFT/Molecular Mechanics to Homogeneous Catalysis.- DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds.…

Condizione: Used. pp. 260 Illus.

Buch. Condizione: Neu. Neuware - Density Functional Theory (DFT) is a quantum mechanical modelling method, used in physics and chemistry to investigate the electronic structure (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. This book provides current research in the study of the principles, applications and analysis of Density Functional Theory (DFT). Topics discussed include density functional treatment of interactions and chemical reactions at interfaces; applications of DFT calculations to lithium carbenoids and magnesium carbenoids; thermoelectric properties of low-dimensional materials by DFT; using DFT computations on the radical scavenging activity studies of natural phenolic compounds; polarisability of C60/C70 fullerene [2+1]- and [1+1]-adducts; DFT application to the calculation of properties of di- and trimethylnaphthalenes; transport calculations of organic materials; the evolution of DFT; the capabilities of DFT for materials design of alloys; and the fundamentals of energy density functionality in nuclear physics.…

Condizione: New. pp. 208.

Buch. Condizione: Neu. Druck auf Anfrage Neuware - Printed after ordering - The Calculation of NMR Parameters in Transition Metal Complexes.- Excitation Energies of Metal Complexes with Time-dependent Density Functional Theory.- Applications of Hybrid DFT/Molecular Mechanics to Homogeneous Catalysis.- DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds.…

Condizione: Used. pp. 260.

Paperback. Condizione: Brand New. 208 pages. 9.25x6.10x0.47 inches. In Stock.

Condizione: New. In.

Condizione: New. In.

Hardcover. Condizione: Like New. LIKE NEW. SHIPS FROM MULTIPLE LOCATIONS. book.

Hardcover. Condizione: Like New. LIKE NEW. SHIPS FROM MULTIPLE LOCATIONS. book.