Idioma:

Computational chemistry workbook : learning through examples

Thomas. Heine Jan-Ole Joswig; Achim Gelessus

Localização: CQ - Conjunto das Químicas (540.02854 H468c CD-ROM ) e outros locais(Acessar)

Título:
Computational chemistry workbook : learning through examples
Autor: Thomas. Heine
Jan-Ole Joswig; Achim Gelessus
Assuntos: QUÍMICA (PROCESSAMENTO DE DADOS); Chemistry -- Mathematics; Chemistry -- Data processing; Chemistry -- Computer simulation; Computational chemistry -- Beispielsammlung; Computational chemistry; Beispielsammlung
Notas: Includes bibliographical references and index.
Notas Locais: No CQ o livro acompanha CD-ROM
Descrição: Introduction -- Molecular coordinates and symmetry -- Vibrations of diatomic molecules: the harmonic approximation -- Vibrations of diatomic molecules: the Schrödinger equation -- Atomic orbitals -- Ionization potentials and electron affinities of atoms -- Hückel molecular orbital theory: stability of conjugated carbon systems -- Hückel molecular orbital theory: bond order, charge order, and molecular orbitals -- Geometry optimization of a diatomic molecule -- The electron spin -- Vibrational spectroscopy -- Vibrational spectroscopy and character tables - advanced topics -- Ionization potential and electron affinities of molecules -- Thermochemistry -- Molecular dynamics - basic concepts -- Molecular dynamics and basic thermodynamics -- Molecular dynamics - simulated annealing.
Editor: Weinheim : Wiley-VCH
Data de criação/publicação: 2009
Formato: xvii, 232 p. : ill. ; 25 cm. + 1 CD-ROM (4 3/4 in.).
Idioma: Inglês

Links

Voltar para lista de resultados

Anterior Resultado 5 Avançar Ir para próxima página