Density functional study of H-D coupling constants in heavy metal dihydrogen and dihydride complexes: The role of geometry, spin-orbit coupling, and gradient corrections in the exchange-correlation kernel

Journal of Chemical Theory and Computation

Volumn 1, Issue 4, 2005, Pages 601-611

  Guennic, Boris Le ^a   Patchkovskii, Serguei ^b   Autschbach, Jochen ^a  

^a UNIVERSITY AT BUFFALO   (United States)

^b NATIONAL RESEARCH COUNCIL CANADA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77958466144     PISSN: 15499618     EISSN: 15499626     Source Type: Journal    
DOI: 10.1021/ct050042j     Document Type: Article

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