Determination of rotamer populations and related parameters from NMR coupling constants: a critical review

dc.contributor.author	Kraszni, Márta
dc.contributor.author	Szakács, Zoltán
dc.contributor.author	Noszál, Béla
dc.date.accessioned	2023-06-14T12:34:20Z
dc.date.available	2023-06-14T12:34:20Z
dc.date.issued	2004
dc.identifier	5144230880
dc.identifier.citation	journalVolume=378;journalIssueNumber=6;journalTitle=ANALYTICAL AND BIOANALYTICAL CHEMISTRY;pagerange=1449-1463;journalAbbreviatedTitle=ANAL BIOANAL CHEM;
dc.identifier.uri	http://repo.lib.semmelweis.hu//handle/123456789/9443
dc.identifier.uri	doi:https://doi.org/10.1007/s00216-003-2386-z
dc.description.abstract	Methods to determine rotamer populations from NMR homo- and heteronuclear vicinal coupling constants are reviewed. Theory and practice related to the elucidation of various gauche and trans limiting coupling constants as key parameters in the characterization of discrete rotational isomers are discussed. Properties and capacities of Karplus-type equations are assessed. Continuous models of rotational isomerism are compared to discrete ones. Principles of the highly specific physicochemical parameters rotamer-specific basicity and rotamer-specific partition coefficient are also described.
dc.format.extent	1449-1463
dc.relation.ispartof	urn:issn:1618-2642
dc.title	Determination of rotamer populations and related parameters from NMR coupling constants: a critical review
dc.type	Journal Article
dc.date.updated	2023-05-11T13:55:28Z
dc.language.rfc3066	en
dc.rights.holder	NULL
dc.identifier.mtmt	1076325
dc.identifier.wos	000220661800009
dc.identifier.pubmed	15214407
dc.contributor.institution	Gyógyszerészi Kémiai Intézet
dc.contributor.institution	Kémia Doktori Iskola
dc.contributor.institution	Anyag- és Környezetkémiai Intézet