Theoretical Chemistry in Belgium A Topical Collection from Theoretical Chemistry Accounts /

Theoretical Chemistry in Belgium A Topical Collection from Theoretical Chemistry Accounts /

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 outstand...

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Bibliographic Details
Published in:Springer eBooks
Corporate Author: SpringerLink (Online service)
Other Authors: Champagne, Benoît (Editor), Deleuze, Michael S. (Editor), De Proft, Frank (Editor), Leyssens, Tom (Editor)
Format: eBook
Language:English
Published: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2014.
Series:Highlights in Theoretical Chemistry,
Subjects:
chemistry.
Chemistry, Physical organic.
Chemistry.
Theoretical and Computational Chemistry.
Atomic/Molecular Structure and Spectra.
Physical Chemistry.
Online Access:http://dx.doi.org/10.1007/978-3-642-41315-5
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Table of 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.

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