International Journal of Quantum Chemistry

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Journal description

Title Titel
International Journal of Quantum Chemistry
 
e-ISSN
1097-461X
 
ISSN
0020-7608
 
Publisher Herausgeber
WILEY
 

Publications Publikationen

Results 1-4 of 4 (Search time: 0.002 seconds).

PreviewAuthor(s)TitleTypeIssue Date
1Uzunova, Ellie ; Mikosch, Hans ; Nikolov, Georgi Density Functional Study of Copper-Exchanged Zeolites and Related Microporous Materials. Adsorption of NitrosylsArtikel Article2013
2Blaha, Peter ; Schwarz, Karlheinz ; Novak, Pavel Electric Field Gradients in Cuprates: Does LDA+U give the Correct Charge Distribution ?Artikel Article2005
3Bichelmaier-2023-International Journal of Quantum Chemistry-vor.pdf.jpgBichelmaier, Sebastian ; Carrete, Jesús ; Madsen, Georg K. H. Evaluating the efficiency of power‐series expansions as model potentials for finite‐temperature atomistic calculationsArticle Artikel 5-Jun-2023
4Mihalyov, Tzvetan ; Georgieva, Ivelina ; Bauer, Günter ; Kostova, Irena ; Manolov, Ilia ; Trendafilova, Natasha Theoretical study of the substituent effect on the intramolecular hydrogen bonds in di(4-hydroxycoumarin) derivativesArtikel Article2005