scholarly journals CHALLENGES IN CONFORMATIONAL ANALYSIS OF FLEXIBLE MOLECULES

2021 ◽  
Author(s):  
Malgorzata Biczysko
Keyword(s):  
Conformational Analysis ◽  
Flexible Molecules

The role of dispersion and anharmonic corrections in conformational analysis of flexible molecules: the allyl group rotamerization of matrix isolated safrole

2019 ◽  
Vol 21 (16) ◽  
pp. 8352-8364 ◽  
Author(s):  
Hongli Zhang ◽  
Justyna Krupa ◽  
Maria Wierzejewska ◽  
Malgorzata Biczysko
Keyword(s):  
Low Temperature ◽  
Conformational Analysis ◽  
Uv Radiation ◽  
Conformational Changes ◽  
Narrow Band ◽  
Flexible Molecules ◽  
Energetic Analysis ◽  
Anharmonic Corrections

Conformational changes of the monomeric safrole isolated in low temperature xenon matrices, induced thermally or using narrow-band UV radiation, represent challenging example for the theoretical structural, spectroscopic and energetic analysis.

ChemInform Abstract: Conformational Analysis of Flexible Molecules

ChemInform ◽  
2010 ◽  
Vol 27 (20) ◽  
pp. no-no
Author(s):  
S. R. WILSON ◽  
W. CUI ◽  
F. GUARNIERI
Keyword(s):  
Conformational Analysis ◽  
Flexible Molecules

Flexible Molecules with Defined Shape, VII. Conformational Analysis of 3,5-Dimethylhexene Derivatives, Subunits of Polyketide Derived Natural Products

1997 ◽  
Vol 1997 (8) ◽  
pp. 1757-1764 ◽  
Author(s):  
Richard Göttlich ◽  
Ulrich Schopfer ◽  
Martin Stahl ◽  
Reinhard W. Hoffmann
Keyword(s):  
Natural Products ◽  
Conformational Analysis ◽  
Flexible Molecules

An ant algorithm for the conformational analysis of flexible molecules

2007 ◽  
Vol 28 (5) ◽  
pp. 890-898 ◽  
Author(s):  
Frits Daeyaert ◽  
Marc De Jonge ◽  
Luc Koymans ◽  
Maarten Vinkers
Keyword(s):  
Conformational Analysis ◽  
Ant Algorithm ◽  
Flexible Molecules

The conformational analysis of flexible molecules within macromolecular receptor sites

1992 ◽  
Vol 10 (1) ◽  
pp. 51-52
Author(s):  
AndrewR. Leach ◽  
Robert Langridge ◽  
IrwinD. Kuntz
Keyword(s):  
Conformational Analysis ◽  
Flexible Molecules ◽  
Receptor Sites
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