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Electron self-trapping at quantum and classical critical points

โœ Scribed by M.I. Auslender; M.I. Katsnelson


Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
329 KB
Volume
321
Category
Article
ISSN
0003-4916

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๐Ÿ“œ SIMILAR VOLUMES


Bond length and the electron density at
โœ Norberto Castillo; Katherine N. Robertson; S. C. Choi; Russell J. Boyd; Osvald K ๐Ÿ“‚ Article ๐Ÿ“… 2007 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 211 KB

## Abstract The aim was to investigate the relationship between the bond length and the electron density at the bond critical point in homonuclear X๏ฃฟX and Z๏ฃฟZ and heteronuclear C๏ฃฟZ bonds (X = Liโ€F, Z = Naโ€Cl). The __d__,ฯ~c~ pairs were obtained from 472 target bonds in DFTโ€optimized (B3LYP/6โ€311+G(