000 03040nam a22005535i 4500
001 978-3-642-41315-5
003 DE-He213
005 20200420211751.0
007 cr nn 008mamaa
008 131015s2014 gw | s |||| 0|eng d
020 _a9783642413155
_9978-3-642-41315-5
024 7 _a10.1007/978-3-642-41315-5
_2doi
050 4 _aQD450-801
072 7 _aPNRP
_2bicssc
072 7 _aSCI013050
_2bisacsh
082 0 4 _a541.2
_223
245 1 0 _aTheoretical Chemistry in Belgium
_h[electronic resource] :
_bA Topical Collection from Theoretical Chemistry Accounts /
_cedited by Beno�it Champagne, Michael S. Deleuze, Frank De Proft, Tom Leyssens.
264 1 _aBerlin, Heidelberg :
_bSpringer Berlin Heidelberg :
_bImprint: Springer,
_c2014.
300 _aVI, 288 p. 158 illus., 98 illus. in color.
_bonline resource.
336 _atext
_btxt
_2rdacontent
337 _acomputer
_bc
_2rdamedia
338 _aonline resource
_bcr
_2rdacarrier
347 _atext file
_bPDF
_2rda
490 1 _aHighlights in Theoretical Chemistry,
_x2194-8666 ;
_v6
505 0 _aFrom 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.
520 _aReaders 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.
650 0 _aChemistry.
650 0 _aPhysical chemistry.
650 0 _aChemistry, Physical and theoretical.
650 0 _aAtomic structure.
650 0 _aMolecular structure.
650 0 _aSpectra.
650 1 4 _aChemistry.
650 2 4 _aTheoretical and Computational Chemistry.
650 2 4 _aAtomic/Molecular Structure and Spectra.
650 2 4 _aPhysical Chemistry.
700 1 _aChampagne, Beno�it.
_eeditor.
700 1 _aDeleuze, Michael S.
_eeditor.
700 1 _aDe Proft, Frank.
_eeditor.
700 1 _aLeyssens, Tom.
_eeditor.
710 2 _aSpringerLink (Online service)
773 0 _tSpringer eBooks
776 0 8 _iPrinted edition:
_z9783642413148
830 0 _aHighlights in Theoretical Chemistry,
_x2194-8666 ;
_v6
856 4 0 _uhttp://dx.doi.org/10.1007/978-3-642-41315-5
912 _aZDB-2-SBE
942 _cEBK
999 _c51281
_d51281