Methods for parallel computation of SCF NMR chemical shifts by GIAO method: Efficient integral calculation, multi-fock algorithm, and pseudodiagonalization

Journal of Computational Chemistry

Volumn 18, Issue 6, 1997, Pages 816-825

  Wolinski, Krzysztof ^a   Haacke, Robert ^a   Hinton, James F ^a   Pulay, Peter ^a  

^a UNIVERSITY OF ARKANSAS   (United States)

Author keywords

GIAO; Parallel computation; Pseudodiagonalization; SCF NMR chemical shifts

Indexed keywords

EID: 0003170855     PISSN: 01928651     EISSN: None     Source Type: Journal    
DOI: 10.1002/(SICI)1096-987X(19970430)18:6<816::AID-JCC7>3.0.CO;2-V     Document Type: Article

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