rdf-syntax-grammar
mods:
  schema location: http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
  title info:
    title: Valence bond theory
  name:
    name part: Cooper, D. L.
  name:
    name part: ScienceDirect (Online service)
  type of resource: text
  genre: bibliography
  genre: Electronic books.
  origin info:
    place:
      place term: ne
    place:
      place term: Amsterdam
    place:
      place term: Boston
    publisher: Elsevier
    date issued: 2002
    edition: 1st ed.
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: remote
    extent: 1 online resource (xix, 816 pages) : illustrations
  abstract: Valence bond (VB) theory, which builds the descriptions of molecules from those of its constituent parts, provided the first successful quantum mechanical treatments of chemical bonding. Its language and concepts permeate much of chemistry, at all levels. Various modern formulations of VB theory represent serious tools for quantum chemical studies of molecular electronic structure and reactivity. In physics, there is much VB-based work (particularly in semi-empirical form) on larger systems. Importance of Topic The last decade has seen significant advances in methodology and a vast increase in the range of applications, with many new researchers entering the field. Why This Title Valence Bond Theory succeeds in presenting a comprehensive selection of contributions from leading valence bond (VB) theory researchers throughout the world. It focuses on the vast increase in the range of applications of methodology based on VB theory during the last decade and especially emphasizes recent advances.
  table of contents: A short history of VB theory / G.A. Gallup -- Modern valence bond description of gas-phase pericyclic reactions / David L. Cooper, Peter B. Karadakov, Thorstein Thorsteinsson -- Complete active space valence bond (CASVB) method and its application to chemical reactions / Haruyuki Nakano, Kazushi Sorakubo, Kenichi Nakayama, Kimihiko Hirao -- TURTLE, a gradient VBSCF program theory and studies of aromaticity / Joop H. van Lenthe, Fokke Dijkstra, Remco W.A. Havenith -- Generalized multistructural method : theoretical foundations and applications / A.G.H. Barbosa, M.A.C. Nascimento -- A spin-free approach for valence bond theory and its applications / Wei Wu, Yirong Mo, Zexing Cao, Qianer Zhang -- BOVB, a valence bond method incorporating static and dynamic correlation effects / P.C. Hiberty, S. Shaik -- The biorthogonal valence bond method / Joseph J.W. McDouall -- Recent developments of the SCVB method / M. Sironi, M. Raimondi, R. Martinazzo, F.A. Gianturco, D.L. Cooper
  table of contents: The generalized multiconfiguration spin-coupled method, STO optimization, and the electronic structure of BH₃ in its ground state / F.E. Penotti -- Ab initio computational approaches to weakly interacting systems in the framework of the valence bond theory : from small to large van der Waals molecules / Antonino Famurali, Roberto Specchio, Ermanno Gianinetti, Mario Raimondi -- Valence bond structures for some molecules with four singly-occupied active-space orbitals : electronic structures, reaction mechanisms, metallic orbitals / Richard D. Harcourt -- The spin-free valence bond method : applications to metallic and electron rich systems / Reinaldo O. Vianna, Andréa D. Quintão -- VB analysis of wavefunctions calculated for chemical reactions in solution / Claudio Amovilli -- Resonating valence-bond theories for carbon [pi]-networks and classical/quantum connections / D.J. Klein -- Clar's [pi]-aromatic sextet revisited / Milan Randić
  table of contents: A valence bond view of fullerenes / T.G. Schmalz -- Valence bond calculations and their applications to medium-sized conjugated hydrocarbons / Y. Jiang, S. Li -- Symmetric group approach to the theory of Heisenberg lattices / Norbert Flocke, Jacek Karwowski -- Valence bond theory of quantum cell models / S. Ramasesha, Z.G. Soos -- Spin permutation technique in the theory of strongly correlated electron systems / V.O. Cheranovskii -- Many body VB ansätze : from polymers and ladder materials to the square lattice / M.A. Garcia-Bach -- Exact ground states of one- and two-dimensional frustrated quantum spin systems / A.A. Ovchinnikov, V. Ya. Krivnov, D.V. Dmitriev.
  note: edited by David L. Cooper.
  note: Includes bibliographical references and index.
  subject:
    topic: Valence (Theoretical chemistry)
  subject:
    topic: Valence (Chimie théorique)
  subject:
    topic: SCIENCE
    topic: Chemistry
    topic: Physical & Theoretical
  subject:
    topic: Valence (Theoretical chemistry)
  subject:
    topic: Valenztheorie
  classification: QD469 .V35 2002eb
  classification: 541.2/24
  related item:
    title info:
      title: Valence bond theory
    origin info:
      publisher: Amsterdam ; Boston : Elsevier, 2002
      edition: 1st ed.
    identifier: (DLC) 2002069318
    identifier: (OCoLC)49679608
  related item:
    title info:
      title: Theoretical and computational chemistry ; 10
  identifier: 9780444508898
  identifier: 0444508899
  identifier: 9780080543499
  identifier: 0080543499
  identifier: 98323:98325 Elsevier Science & Technology
  identifier: http://proxy.library.tamu.edu/login
  record info:
    record content source: OPELS
    record creation date: 070806
    record change date: 20260326151834.7
    record identifier: in00005733123
    language of cataloging:
      language term: eng