Quantum mechanical study of the tautomerism and molecular spectra of 2-hydroxy-3-methyl-2-cyclopenten-1-one

Molecular Physics

Volumn 110, Issue 6, 2012, Pages 343-351

  Zborowski, Krzysztof K ^a   Grybos, Ryszard ^a   Weseucha Birczyska, Aleksandra ^a   Kim, Younkyoo ^b   Proniewicz, Leonard M ^a,c  

^a JAGIELLONIAN UNIVERSITY   (Poland)

^b Hankuk University of Foreign Studies   (South Korea)

^c State Higher Vocational School in Tarnow   (Poland)

Author keywords

2 hydroxy 3 methyl 2 cyclopenten 1 one; NMR spectroscopy; tautomerism; theoretical calculations; vibrational spectroscopy

Indexed keywords

2-HYDROXY-3-METHYL-2-CYCLOPENTEN-1-ONE; ACTIVE METAL COMPLEXES; AS-LIGANDS; CHEMICAL SIMILARITY; EXPERIMENTAL DATA; HYDROXYPYRONES; MOLECULAR SPECTRA; NATURAL COMPOUNDS; POTENTIAL ENERGY DISTRIBUTION; QUANTUM-CHEMICAL CALCULATION; QUANTUM-MECHANICAL STUDY; SPECTROSCOPIC DATA; STABLE STRUCTURES; TAUTOMERISM; THEORETICAL CALCULATIONS; THEORETICAL STUDY; TOTAL ENERGY; VIBRATIONAL BANDS;

CHEMICAL SHIFT; MASS SPECTROMETRY; METAL COMPLEXES; METALS; MOLECULAR SPECTROSCOPY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; QUANTUM THEORY; VIBRATIONAL SPECTROSCOPY;

LIGANDS;

EID: 84859173013     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2011.646336     Document Type: Article

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