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Volumn 115, Issue 3, 2001, Pages 1324-1334

The effect of lone pairs and electronegativity on the indirect nuclear spin-spin coupling constants in CH2X (X=CH2, NH, O, S): Ab initio calculations using optimized contracted basis sets

(3) Provasi, Patricio F a Aucar, Gustavo A a Sauer, Stephan P A b

a UNIVERSIDAD NACIONAL DEL NORDESTE (Argentina)

b UNIVERSITY OF COPENHAGEN (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CORRELATION METHODS; ELECTRONS; FERMI LEVEL; MOLECULAR STRUCTURE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OPTIMIZATION; PARAMAGNETISM; SET THEORY;

COUPLING CONSTANTS; ELECTRONEGATIVITY; MOLECULAR ORBITAL COEFFICIENTS;

MAGNETIC COUPLINGS;

EID: 0035878896 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.1379331 Document Type: Article

Times cited : (259)

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