Investigation of the structure of 6-amino-4-methylamino-5-nitrosopyrimidine by X-ray diffraction, NMR and molecular modeling

Journal of Molecular Modeling

Volumn 13, Issue 1, 2007, Pages 219-224

  Urbelis, Gintaras ^a   Susvilo, Inga ^a   Tumkevicius, Sigitas ^a  

^a VILNIUS UNIVERSITY   (Lithuania)

Author keywords

Chemical shifts; DFT; Hetero cycles; HF; NMR; X ray

Indexed keywords

DIMETHYL SULFOXIDE; PYRIMIDINE DERIVATIVE;

ANALYTIC METHOD; ARTICLE; CARBON NUCLEAR MAGNETIC RESONANCE; CHEMICAL STRUCTURE; CONTROLLED STUDY; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; EXPERIMENTAL DESIGN; MOLECULAR MODEL; PRIORITY JOURNAL; PROTON NUCLEAR MAGNETIC RESONANCE; SOLID STATE; STRUCTURE ANALYSIS; X RAY DIFFRACTION;

COMPUTER SIMULATION; CRYSTALLOGRAPHY, X-RAY; MAGNETIC RESONANCE SPECTROSCOPY; MODELS, CHEMICAL; MODELS, MOLECULAR; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; NITROSO COMPOUNDS; PROTONS; PYRIMIDINES; THERMODYNAMICS; X-RAY DIFFRACTION;

EID: 34347376541     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-006-0155-6     Document Type: Article

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