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A Density Functional Approach to Hardness, Polarizability, and Valency of Molecules in Chemical Reactions

โœ Scribed by Ghanty, Tapan K.; Ghosh, Swapan K.

Book ID
111859949
Publisher
American Chemical Society
Year
1996
Tongue
English
Weight
288 KB
Volume
100
Category
Article
ISSN
0022-3654

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Density functional study of the relation
Density functional study of the relationship between energy, hardness, and polarizability of molecules in nonequilibrium situations
โœ Tapan K. Ghanty; Swapan K. Ghosh ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 298 KB ๐Ÿ‘ 1 views

We have studied the variation of hardness, polarizability, and electronic and nuclear repulsion energy components of molecules in different nonequilibrium situations obtained by bond distortion and also by placing external point charges on the symmetry axis of the molecules. The above quantities are