a Topical Collection from Theoretical Chemistry Accounts
First Statement of Responsibility
edited by Benoît Champagne, Michael S. Deleuze, Frank De Proft, Tom Leyssens.
.PUBLICATION, DISTRIBUTION, ETC
Place of Publication, Distribution, etc.
Berlin, Heidelberg
Name of Publisher, Distributor, etc.
Springer Berlin Heidelberg
Date of Publication, Distribution, etc.
2014
PHYSICAL DESCRIPTION
Specific Material Designation and Extent of Item
1 ressource en ligne (VI, 288 pages) : 158 illustrations, 98 illustrations en couleur
SERIES
Series Title
Highlights in Theoretical Chemistry, 6.
CONTENTS NOTE
Text of Note
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.
SUMMARY OR ABSTRACT
Text of Note
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.
TOPICAL NAME USED AS SUBJECT
Chemistry.
Chimie.
Physical organic chemistry.
LIBRARY OF CONGRESS CLASSIFICATION
Class number
QD453
.
3
Book number
E358
2014
PERSONAL NAME - PRIMARY RESPONSIBILITY
edited by Benoît Champagne, Michael S. Deleuze, Frank De Proft, Tom Leyssens.