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Molecular models for surfaces of solids with hypervalent coordination environment

✍ Scribed by Grebenyuk, A. G. ;Zayets, V. A. ;Gorlov, Yu. I.


Book ID
112682703
Publisher
Springer
Year
1993
Tongue
English
Weight
179 KB
Volume
50
Category
Article
ISSN
0133-1736

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## Abstract The densities of high energetic molecules in the solid state were calculated with a simplified scheme based on molecular surface electrostatic potentials (MSEP). The MSEP scheme for density estimation, originally developed by Politzer et al., was further modified to calculate electrosta