Di- and trisubstituted .gamma.-lactones. Conformational study by molecular mechanics calculations and coupling constant analysis

Carlos Jaime; Rosa Maria Ortuno; Jose Font

doi:10.1021/jo00371a006

Di- and trisubstituted .gamma.-lactones. Conformational study by molecular mechanics calculations and coupling constant analysis

The Journal of Organic Chemistry ◽

10.1021/jo00371a006 ◽

1986 ◽

Vol 51 (21) ◽

pp. 3946-3951 ◽

Cited By ~ 45

Author(s):

Carlos Jaime ◽

Rosa Maria Ortuno ◽

Jose Font

Keyword(s):

Molecular Mechanics ◽

Coupling Constant ◽

Conformational Study ◽

Molecular Mechanics Calculations

ChemInform Abstract: Di- and Trisubstituted γ-Lactones. Conformational Study by Molecular Mechanics Calculations and Coupling Constant Analysis.

ChemInform ◽

10.1002/chin.198717070 ◽

1987 ◽

Vol 18 (17) ◽

Author(s):

C. JAIME ◽

R. M. ORTUNO ◽

J. FONT

Keyword(s):

Molecular Mechanics ◽

Coupling Constant ◽

Conformational Study ◽

Molecular Mechanics Calculations

ChemInform Abstract: CONFORMATIONAL STUDY OF THE 1-AZABICYCLO(3.3.1)NONAN-2-ONE SYSTEM. MOLECULAR MECHANICS CALCULATIONS AND X-RAY STRUCTURE OF 5-PHENYL-1-AZABICYCLO(3.3.1)NONAN-2-ONE

Chemischer Informationsdienst ◽

10.1002/chin.198407061 ◽

1984 ◽

Vol 15 (7) ◽

Author(s):

G. L. BUCHANAN ◽

D. H. KITSON ◽

P. R. MALLINSON ◽

G. A. SIM ◽

D. N. J. WHITE ◽

...

Keyword(s):

Molecular Mechanics ◽

Conformational Study ◽

Molecular Mechanics Calculations ◽

X Ray

Conformational study of the 1-azabicyclo[3.3.1]nonan-2-one system. Molecular-mechanics calculations and X-ray structure of 5-phenyl-1-azabicyclo[3.3.1]nonan-2-one

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29830001709 ◽

1983 ◽

pp. 1709 ◽

Cited By ~ 8

Author(s):

George L. Buchanan ◽

David H. Kitson ◽

Paul R. Mallinson ◽

George A. Sim ◽

David N. J. White ◽

...

Keyword(s):

Molecular Mechanics ◽

Conformational Study ◽

Molecular Mechanics Calculations ◽

X Ray

ChemInform Abstract: CONFORMATIONAL STUDY OF A PHOTOCHEMICAL CYCLOPENTENONE REARRANGEMENT. MOLECULAR MECHANICS CALCULATIONS AND X-RAY STRUCTURE OF 14β-HYDROXY-5-METHOXY-DE-A-ESTRA-5,7,9,16-TETRAEN-15-ONE

Chemischer Informationsdienst ◽

10.1002/chin.198516084 ◽

1985 ◽

Vol 16 (16) ◽

Author(s):

R. A. HOWIE ◽

A. B. TURNER ◽

P. J. COX

Keyword(s):

Molecular Mechanics ◽

Conformational Study ◽

Molecular Mechanics Calculations ◽

X Ray

ChemInform Abstract: Conformational Study of N-Nitroso-2,6-diphenylpiperidines and N- Nitroso-2,6-diphenylpiperidin-4-ones by Molecular Mechanics Calculations, X-Ray Crystallography, and 1H and 13C NMR Spectroscopy.

ChemInform ◽

10.1002/chin.199614042 ◽

2010 ◽

Vol 27 (14) ◽

pp. no-no

Author(s):

M. GDANIEC ◽

M. J. MILEWSKA ◽

T. POLONSKI

Keyword(s):

Nmr Spectroscopy ◽

Molecular Mechanics ◽

13C Nmr ◽

13C Nmr Spectroscopy ◽

Conformational Study ◽

Molecular Mechanics Calculations ◽

1H And 13C Nmr ◽

X Ray ◽

X Ray Crystallography

ChemInform Abstract: Synthesis of 8-Methyl-6-thio-7-(β-D-xylopyranosyl)theophylline ( III). Conformational Study of Its Peracetyl Derivatives. Molecular Mechanics Calculations and Minimum-Energy Geometries of 8-Methyl-7-(2′, 3′,4′-tri-O-acetyl-β-D-xylopyr

ChemInform ◽

10.1002/chin.199514282 ◽

2010 ◽

Vol 26 (14) ◽

pp. no-no

Author(s):

R. RICO-GOMEZ ◽

J. M. LOPEZ-ROMERO

Keyword(s):

Molecular Mechanics ◽

Minimum Energy ◽

Conformational Study ◽

Molecular Mechanics Calculations

A Conformational Study on Silacyclohexane. Comparison ofab initio (HF, MP2), DFT, and Molecular Mechanics Calculations. Conformational Energy Surface of Silacyclohexane

Zeitschrift für anorganische und allgemeine Chemie ◽

10.1002/(sici)1521-3749(200004)626:4<853::aid-zaac853>3.0.co;2-r ◽

2000 ◽

Vol 626 (4) ◽

pp. 853-862 ◽

Cited By ~ 29

Author(s):

Ingvar Arnason ◽

Gudjon K. Thorarinsson ◽

Eberhard Matern

Keyword(s):

Molecular Mechanics ◽

Energy Surface ◽

Conformational Energy ◽

Conformational Study ◽

Molecular Mechanics Calculations

ChemInform Abstract: Study of (1-Alkoxyethyl) Diphenylphosphine Oxides. Part 4. Conclusive Conformational Study by NMR and Molecular Mechanics Calculations

ChemInform ◽

10.1002/chin.199128043 ◽

2010 ◽

Vol 22 (28) ◽

pp. no-no

Author(s):

L. POGLIANI ◽

D. VITERBO ◽

M. GIANNINI ◽

M. CERUTI ◽

P. UGLIENGO

Keyword(s):

Molecular Mechanics ◽

Conformational Study ◽

Molecular Mechanics Calculations

Conformational Study of N-Nitroso-2,6-diphenylpiperidines and N-Nitroso-2,6-diphenylpiperidin-4-ones by Molecular Mechanics Calculations, X-ray Crystallography, and 1H and 13C NMR Spectroscopy

The Journal of Organic Chemistry ◽

10.1021/jo00128a011 ◽

1995 ◽

Vol 60 (23) ◽

pp. 7411-7418 ◽

Cited By ~ 39

Author(s):

Maria Gdaniec ◽

Maria J. Milewska ◽

Tadeusz Po-lonski

Keyword(s):

Nmr Spectroscopy ◽

Molecular Mechanics ◽

13C Nmr ◽

13C Nmr Spectroscopy ◽

Conformational Study ◽

Molecular Mechanics Calculations ◽

1H And 13C Nmr ◽

X Ray ◽

X Ray Crystallography

A conformational study of the Smith degradation product of the Klebsiella K40 capsular polysaccharide by 1D NOESY and molecular mechanics calculations

Carbohydrate Research ◽

10.1016/0008-6215(94)80085-5 ◽

1994 ◽

Vol 265 (1) ◽

pp. 151-159 ◽

Cited By ~ 2

Author(s):

Renato Toffanin ◽

Mária Matulová ◽

Juraj Bella ◽

Doriano Lamba ◽

Paola Cescutti ◽

...

Keyword(s):

Molecular Mechanics ◽

Degradation Product ◽

Capsular Polysaccharide ◽

Conformational Study ◽

Molecular Mechanics Calculations ◽

Smith Degradation