Conformational Calculations on Sandalwood Odour, Part XI. Molecular Similarity of Sandalwood Odour Compounds

1997 ◽  
Vol 12 (3) ◽  
pp. 141-146 ◽  
Author(s):  
Gerhard Buchbauer ◽  
Alexander Hayn ◽  
Elisabeth Liedl ◽  
Petra Weiss-Greiler ◽  
Peter Wolschann
Keyword(s):  
Molecular Similarity ◽  
Sandalwood Odour ◽  
Conformational Calculations

Some Aspects of the Molecular Surface of Sandalwood Odour Molecules. Conformational Calculations on Sandalwood Odour VII

1992 ◽  
Vol 47 (12) ◽  
pp. 1759-1763 ◽  
Author(s):  
Gerhard Buchbauer ◽  
Alexander Stock ◽  
Petra Weiß ◽  
Susanne Winiwarter ◽  
Peter Wolschann
Keyword(s):  
Specific Surface ◽  
Molecular Surface ◽  
Molecular Surfaces ◽  
Surface Part ◽  
Significant Pattern ◽  
Sandalwood Odour ◽  
Conformational Calculations

The molecular surfaces of five different sandalwood odour molecules were investigated and subsequently used as a basis for a mean surface and compared to each other. It was possible to find a specific surface part with a significant pattern, which seems to be necessary for evoking the typical odour.

Surface comparisons of some odour molecules: Conformational calculations on sandalwood odour V

1992 ◽  
Vol 6 (6) ◽  
pp. 583-592 ◽  
Author(s):  
Gerhard Buchbauer ◽  
Susanne Winiwarter ◽  
Peter Wolschann
Keyword(s):  
Sandalwood Odour ◽  
Conformational Calculations

Conformational calculations on sandalwood odour molecules II.1 Force field investigations on β-santalol

1988 ◽  
Vol 3 (4) ◽  
pp. 173-177 ◽  
Author(s):  
Anton Beyer ◽  
Peter Wolschann ◽  
Armin Becker ◽  
Gerhard Buchbauer ◽  
Susanne Winiwarter
Keyword(s):  
Force Field ◽  
Field Investigations ◽  
Sandalwood Odour ◽  
Conformational Calculations

Molecular similarity studies on sandalwood odour molecules: Investigations of the conformational space

1997 ◽  
Vol 128 (6-7) ◽  
pp. 609-618 ◽  
Author(s):  
B. B�sel ◽  
G. Buchbauer ◽  
P. Wei�-Greiler ◽  
P. Wolschann
Keyword(s):  
Molecular Similarity ◽  
Conformational Space ◽  
Sandalwood Odour

Study of Local Reactivity of Isatoic Anhydride Applying Quantum Molecular Similarity

2021 ◽  
Vol 6 (17) ◽  
pp. 4390-4399
Author(s):  
Tomás Guerrero ◽  
Sergio F. Juárez‐Cerrillo ◽  
Myrna H. Matus ◽  
José Sergio Durand‐Niconoff
Keyword(s):  
Molecular Similarity ◽  
Isatoic Anhydride ◽  
Local Reactivity ◽  
Quantum Molecular Similarity
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