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Population analysis of pair densities. A study on cyclic systems

โœ Scribed by G. La Manna; G. Di Gregorio; R. Ponec

Book ID
114143873
Publisher
Elsevier Science
Year
2000
Tongue
English
Weight
156 KB
Volume
499
Category
Article
ISSN
0166-1280

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๐Ÿ“œ SIMILAR VOLUMES

Population analysis of pair densities: A
Population analysis of pair densities: A new way of visualization of molecular structure
โœ Robert Ponec; Karl Jug ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 674 KB

Linear and nonlinear pair population analysis is presented as a new means of the visualization of the bonding in molecules with complicated bonding patterns. The theory was applied to selected molecules which cannot be described by the simple model of two-center two-electron (2c-2e) bonds and specia