density functional theory program within the insight ii molecular modelling package (Biosym Technologies)
90
Structured Review
Biosym Technologies
density functional theory program within the insight ii molecular modelling package
Density Functional Theory Program Within The Insight Ii Molecular Modelling Package, supplied by Biosym Technologies, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/density+functional+theory+program+within+the+insight+ii+molecular+modelling+package/density+functional+theory+program+within+the+insight+ii+molecular+modelling+package/10__1021_slash_ja953819z-103-7-20
Average 90 stars, based on 1 article reviews
Density Functional Theory Program Within The Insight Ii Molecular Modelling Package, supplied by Biosym Technologies, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/density+functional+theory+program+within+the+insight+ii+molecular+modelling+package/density+functional+theory+program+within+the+insight+ii+molecular+modelling+package/10__1021_slash_ja953819z-103-7-20
Average 90 stars, based on 1 article reviews
density functional theory program within the insight ii molecular modelling package - by Bioz Stars,
2026-09
90/100 stars
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Functional Assay:Article Title: Spin Densities and Polymerizabilities of Aniline Derivatives Deduced from Density Functional Calculations Article Snippet: A theoretical study of the electronic structure of some aniline derivatives is performed, aimed at a microscopic explanation of the observed polymerizability of these compounds.. Monomers with methyl and methoxy substituents located at various positions on the benzenoid ring are considered using the density functional theory program deMon-KS.. The calculations indicate that the distribution of the net radical cation spin among the atoms (atomic spin populations) is very sensitive to the nature and the position of the substituents. |