Revealing CSA Tensors and Hydrogen Bonding in Methoxycarbonyl Urea: A combined 13C, 15N and 13C14N 2 Dipolar Chemical Shift NMR and DFT Study

Zeitschrift fur Physikalische Chemie

Volumn 217, Issue 12, 2003, Pages 1473-1505

  Macholl, Sven ^a   Börner, Frank ^b   Buntkowsky, Gerd ^a  

^a FREIE UNIVERSITÄT BERLIN   (Germany)

^b FRAUNHOFER INSTITUTE FOR APPLIED POLYMER RESEARCH   (Germany)

Author keywords

13C CSA; 15N CSA; Ab initio; Chemical shift referencing; Dipolar chemical shift NMR; Hydrogen bond; Methoxycarbonyl urea; Solid state NMR

Indexed keywords

CALCULATIONS; EIGENVALUES AND EIGENFUNCTIONS; GASES; HYDROGEN BONDS; METABOLISM; MOLECULAR ORIENTATION; MOLECULES; NITROGEN FERTILIZERS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; ORBITAL CALCULATIONS; TENSORS; UREA;

AB INITIO; AB INITIO CALCULATIONS; CHEMICAL SHIELDING TENSORS; INTERMOLECULAR HYDROGEN BONDS; MINIMUM ENERGY CONFIGURATION; SOLID STATE NMR; ^13C-CSA; ^15N-CSA;

CHEMICAL SHIFT;

CARBON 13; CARBONYL DERIVATIVE; NITROGEN 15; NITROGEN FERTILIZER; UREA DERIVATIVE;

AMBIGUITY; ARTICLE; HYDROGEN BOND; ISOTOPE LABELING; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

EID: 10744230692     PISSN: 09429352     EISSN: None     Source Type: Journal    
DOI: 10.1524/zpch.217.12.1473.20470     Document Type: Article

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