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Volumn 356, Issue 1-3, 2009, Pages 187-194

4-Component relativistic calculation of the magnetically induced current density in the group 15 heteroaromatic compounds

Author keywords

4 Component relativistic theory; Aromaticity; Current density; Density functional theory; Response theory

Indexed keywords


EID: 59449110166     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2008.10.040     Document Type: Article
Times cited : (52)

References (47)
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    • Development version of DIRAC-a relativistic ab initio electronic structure release DIRAC08 (2008), written by L. Visscher, H.J.Aa. Jensen, T. Saue, with new contributions from R. Bast, S. Dubillard, K.G. Dyall, U. Ekström, E. Eliav, T. Fleig, A.S.P. Gomes, T.U. Helgaker, J. Henriksson, M. Iliaš, Ch.R. Jacob, S. Knecht, P. Norman, J. Olsen, M. Pernpointner, K. Ruud, P. Sałek, J. Sikkema (see ).
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    • addendum Theor. Chem. Acc. 108 (2002) 365; revision Theor. Chem. Acc. 115 (2006) 441; basis sets available from the DIRAC web site.
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    • PyNGL, developed at the National Center for Atmospheric Research. .


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.