Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/327661
Type: Artigo
Title: NMR spin–spin coupling constants: bond angle dependence of the sign and magnitude of the vicinal 3JHFcoupling
Author: Viesser, Renan V.
Ducati, Lucas C.
Autschbach, Jochen
Tormena, Cláudio F.
Abstract: The dependence of the magnitude and sign of 3JHFFon the bond angle in fluoro-cycloalkene compounds is evaluated by electronic structure calculations using different levels of theory,viz.DFT, SOPPA(CCSD) and SOPPA(CC2). Localized molecular orbital contribu
Subject: Ressonância magnética nuclear
Spin nuclear
Estereoquímica
Teoria do funcional de densidade
Country: Reino Unido
Editor: Royal Society of Chemistry
Citation: Phisical Chemistry Chemical Physics. Royal Soc Chemistry, v. 18, p. 24119 - 24128, 2016.
Rights: fechado
Identifier DOI: 10.1039/C6CP04853F
Address: https://pubs.rsc.org/en/content/articlelanding/2016/cp/c6cp04853f
Date Issue: 2016
Appears in Collections:IQ - Artigos e Outros Documentos

Files in This Item:
File SizeFormat 
000382107200075.pdf1.26 MBAdobe PDFView/Open


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.