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Study of singlet-triplet transitions in the ozone molecule using the multiconfigurational self-consistent field theory

โœ Scribed by B. F. Minaev; E. M. Khomenko


Book ID
110164513
Publisher
SP MAIK Nauka/Interperiodica
Year
2006
Tongue
English
Weight
158 KB
Volume
40
Category
Article
ISSN
0018-1439

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โœ Chitrani Medhi; S. P. Bhattacharyya ๐Ÿ“‚ Article ๐Ÿ“… 1998 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 321 KB ๐Ÿ‘ 2 views

A detailed study of the type and extent of electronic reorganization created by macroscopic solvation of a prototypical carbonyl solute is carried out within the framework of the semiempirical multiconfiguration self-consistent reaction-field model. The solvation causes additional polarization of th