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Volumn 224, Issue 2-3, 1997, Pages 133-141

Ab initio NMR chemical shieldings in the neutral and charged 7-phosphabicyclo[2.2.1]heptane, -heptene, and -heptadiene systems; the largest predicted downfield shift for a conventional organophosphorus molecule

(1) Chesnut, D B a

a DUKE UNIVERSITY (United States)

Author keywords

Ab initio quantum mechanics; Deshielding; GIAO NMR shielding; Phosphorus NMR shielding; Second order many body perturbation theory

Indexed keywords

EID: 0031326603 PISSN: 03010104 EISSN: None Source Type: Journal
DOI: 10.1016/S0301-0104(97)00262-0 Document Type: Article

Times cited : (7)

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