Normal view MARC view ISBD view

Introduction to computational chemistry / Frank Jensen

Jensen, Frank.
Material type: materialTypeLabelBook; Format: print Publisher: West Sussex : John Wiley & Sons, 2007Edition: 2nd ed.Description: XX, 599 p. ; 24 cm.ISBN: 978-0-470-01187-4.Subject(s): Computational chemistry | Química computacional
Tags from this library: No tags from this library for this title. Log in to add tags.
    average rating: 0.0 (0 votes)
Item type Home library Call number Status Loan Date due Barcode Item holds
Monografías 03. BIBLIOTECA INGENIERÍA PUERTO REAL
544/JEN/int (Browse shelf) Available   Shelving location | Bibliomaps® PREST. LIBROS 3743096013
Total holds: 0

Índice

Introduction to Computational Chemistry Second Edition provides a comprehensive account of the fundamental principles underlying different methods, ranging from classical to the sophisticated. Although comprehensive in its coverage, this textbook focuses on calculating molecular structures and (relative) energies and less on molecular properties or dynamical aspects. No prior knowledge of concepts specific to computational chemistry are assumed, but the reader will need some understanding of introductory quantum mechanics, linear algebra, and vector, differential and integral calculus.

Índice: Preface to the First Edition. Preface to the Second Edition. 1 Introduction. 1.1 Fundamental Issues. 1.2 Describing the System. 1.3 Fundamental Forces. 1.4 The Dynamical Equation. 1.5 Solving the Dynamical Equation. 1.6 Separation of Variables. 1.7 Classical Mechanics. 1.8 Quantum Mechanics. 1.9 Chemistry. 2 Force Field Methods. 2.1 Introduction. 2.2 The Force Field Energy. 2.3 Force Field Parameterization. 2.4 Differences in Force Fields. 2.5 Computational Considerations.Etc...

There are no comments for this item.

Log in to your account to post a comment.

Powered by Koha