Geometrical descriptors of molecules

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Title:Geometrical descriptors of molecules
Creators:
Tvarůžek, Pavel
Komenda, Jaro
Journal or Publication Title:
Collection of Czechoslovak Chemical Communications, 56, 2, pp. 253-257

Abstract

Individual molecules and/or their conformers are unequivocally described by the geometrical descriptors derived from the proper values of the square matrix belonging to the <i>K</i> graph. This graph is constructed on the basis of the bonds existing in the molecule, their relative lenghts, and dihedral angles (if the latter assume the values of 0, 90, 180, and 270°).

Title:Geometrical descriptors of molecules
Creators:
Tvarůžek, Pavel
Komenda, Jaro
Divisions:Life and Chemical Sciences > Institute of Organic Chemistry and Biochemistry > Collection of Czechoslovak Chemical Communications
Journal or Publication Title:Collection of Czechoslovak Chemical Communications
Volume:56
Number:2
Page Range:pp. 253-257
ISSN:0010-0765
E-ISSN:1212-6950
Publisher:Institute of Organic Chemistry and Biochemistry
Related URLs:
URLURL Type
http://dx.doi.org/10.1135/cccc19910253UNSPECIFIED
ID Code:4944
Item Type:Article
Deposited On:22 Feb 2010 11:27
Last Modified:22 Feb 2010 10:27

Citation

Tvarůžek, Pavel; Komenda, Jaro (1991) Geometrical descriptors of molecules. Collection of Czechoslovak Chemical Communications, 56 (2). pp. 253-257. ISSN 0010-0765

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