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Visualization of Regional Properties of Hardness and Softness in Molecules
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http://hub.abes.fr/acs/periodical/jcics1/1997/volume_37/issue_2/w
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Visualization of Regional Properties of Hardness and Softness in Molecules
has manifestation of work
http://hub.abes.fr/acs/periodical/jcics1/1997/volume_37/issue_2/101021ci960100h/m/web
http://hub.abes.fr/acs/periodical/jcics1/1997/volume_37/issue_2/101021ci960100h/m/print
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http://hub.abes.fr/acs/periodical/jcics1/1997/volume_37/issue_2/101021ci960100h/authorship/1
http://hub.abes.fr/acs/periodical/jcics1/1997/volume_37/issue_2/101021ci960100h/authorship/3
http://hub.abes.fr/acs/periodical/jcics1/1997/volume_37/issue_2/101021ci960100h/authorship/2
Author
Laube Ulf
Hansen Sven
Bögel Horst
Abstract
The local atomic quantities of hardness and softness are generatedfrom semiempirical and abinitio MOcalculations and can be displayed in different rendering modes such asConnolly surfaces, ball-and-stickmodels of CPK models.
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Journal of Chemical Information and Computer Sciences
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