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" Theoretical Chemistry in Belgium : "
edited by Benoît Champagne, Michael S. Deleuze, Frank De Proft, Tom Leyssens.
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BL
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| Record Number
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748203
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b568159
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| Main Entry
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edited by Benoît Champagne, Michael S. Deleuze, Frank De Proft, Tom Leyssens.
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| Title & Author
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Theoretical Chemistry in Belgium : : a Topical Collection from Theoretical Chemistry Accounts\ edited by Benoît Champagne, Michael S. Deleuze, Frank De Proft, Tom Leyssens.
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| Publication Statement
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Berlin, Heidelberg : Springer Berlin Heidelberg, 2014
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| Series Statement
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Highlights in Theoretical Chemistry, 6.
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1 ressource en ligne (VI, 288 pages) : 158 illustrations, 98 illustrations en couleur
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| ISBN
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3642413153
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: 9783642413155
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| Contents
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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.
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| Abstract
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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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Chemistry.
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Chimie.
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Physical organic chemistry.
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| LC Classification
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QD453.3E358 2014
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| Added Entry
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Benoît Champagne
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Frank De Proft
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Michael S Deleuze
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Tom Leyssens
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