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Journal of Molecular Structure: THEOCHEM

Volumn 580, Issue 1-3, 2002, Pages 75-83

Steric and electronic contributions to conformational effects on chemical shifts of acyclic alcohols

(5) Tostes, J Glauco R a Dias, Jacques F b Seidl, Peter R c Carneiro, J Walkimar de M d Taft, Carlton e

a UNIVERSIDADE ESTADUAL DO NORTE FLUMINENSE DARCY RIBEIRO (Brazil)

b MILITARY INSTITUTE OF ENGINEERING (Brazil)

c FEDERAL UNIVERSITY OF RIO DE JANEIRO (Brazil)

d FLUMINENSE FEDERAL UNIVERSITY (Brazil)

e CENTRO BRASILEIRO DE PESQUISAS FÍSICAS (Brazil)

Author keywords

Acyclic alcohols; Chemical shifts; DFT GIAO calculations; Electronic effects; Hyperconjugation; Steric effects

Indexed keywords

2 BUTANOL; 2 METHYL 2 BUTANOL; 2 METHYL 3 PENTANOL; 2 PENTANOL; 2 PROPANOL; ACYCLIC ALCOHOL DERIVATIVE; ALCOHOL; ALCOHOL DERIVATIVE; CARBON 13; HYDROXYL GROUP; ISOBUTANOL; METHANOL; OXYGEN; PENTAN 3 OL; PENTANOL; PROPANOL; TERT BUTYL ALCOHOL; UNCLASSIFIED DRUG;

BIOMOLECULAR ELECTRONICS; CALCULATION; CONFERENCE PAPER; CONFORMATION; CONJUGATION; PROTON NUCLEAR MAGNETIC RESONANCE; STEREOCHEMISTRY; SURFACE CHARGE;

EID: 0037192722 PISSN: 01661280 EISSN: None Source Type: Journal
DOI: 10.1016/S0166-1280(01)00597-8 Document Type: Conference Paper

Times cited : (10)

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