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Theoretical Chemistry in Belgium [electronic resource] : A Topical Collection from Theoretical Chemistry Accounts / edited by Beno�it Champagne, Michael S. Deleuze, Frank De Proft, Tom Leyssens.

Contributor(s): Champagne, Beno�it [editor.] | Deleuze, Michael S [editor.] | De Proft, Frank [editor.] | Leyssens, Tom [editor.] | SpringerLink (Online service).
Material type: materialTypeLabelBookSeries: Highlights in Theoretical Chemistry: 6Publisher: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2014Description: VI, 288 p. 158 illus., 98 illus. in color. online resource.Content type: text Media type: computer Carrier type: online resourceISBN: 9783642413155.Subject(s): Chemistry | Physical chemistry | Chemistry, Physical and theoretical | Atomic structure | Molecular structure | Spectra | Chemistry | Theoretical and Computational Chemistry | Atomic/Molecular Structure and Spectra | Physical ChemistryAdditional physical formats: Printed edition:: No titleDDC classification: 541.2 Online resources: Click here to access online
Contents:
From the Contents: Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces -- Ewald-type formulas for Gaussian-basis studies of one-dimensionally periodic systems -- Quantum chemical study of self-doping PPV oligomers: spin distribution of the radical forms -- Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization method.
In: Springer eBooksSummary: Readers of this volume can take a tour around the research locations in Belgium which are active in theoretical and computational chemistry. Selected researchers from Belgium present research highlights of their work. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.
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From the Contents: Density functional theory for the description of charge-transfer processes at TTF/TCNQ interfaces -- Ewald-type formulas for Gaussian-basis studies of one-dimensionally periodic systems -- Quantum chemical study of self-doping PPV oligomers: spin distribution of the radical forms -- Self-consistent methods constrained to a fixed number of particles in a given fragment and its relation to the electronegativity equalization method.

Readers of this volume can take a tour around the research locations in Belgium which are active in theoretical and computational chemistry. Selected researchers from Belgium present research highlights of their work. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.

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