The Effect of Substituents on Indirect Nuclear Spin-Spin Coupling Constants: Methan- and Ethanimine, Methanal- and Ethanaloxime

The Effect of Substituents on Indirect Nuclear Spin-Spin Coupling Constants: Methan- and Ethanimine, Methanal- and Ethanaloxime

Abstract: Ab initio calculations of the spin-spin coupling constants have been carried out for methan- and ethanimine, methanal- and ethanaloxime at the level of the second order polarization propagator approximation with coupled cluster singles and doubles amplitudes (SOPPA(CCSD)) using the aug-cc-...

Full description

Bibliographic Details
Main Authors: Stephan P. A. Sauer, Gustavo A. Aucar, Patricio F. Provasi
Format: Article
Language:English
Published: MDPI AG 2003-04-01
Series:International Journal of Molecular Sciences
Subjects:
Ab Initio
NMR
indirect nuclear spin-spin coupling constants
SOPPA(CCSD)
methanimine
ethanimine
methanaloxime
ethanaloxime
Online Access:http://www.mdpi.com/1422-0067/4/4/231/

Internet

http://www.mdpi.com/1422-0067/4/4/231/

Similar Items