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Calculation of the electronic structure of metalloporphyrin dianions by the restricted Hartree-Fock method

โœ Scribed by V. A. Kuz'mitskii; G. T. Klimko; M. M. Mestechkin; V. N. Poltavets


Book ID
112358974
Publisher
Springer
Year
1986
Tongue
English
Weight
683 KB
Volume
22
Category
Article
ISSN
0040-5760

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Comments on the electronic structure of
โœ Diana Guenzburger ๐Ÿ“‚ Article ๐Ÿ“… 1982 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 343 KB

The fist-prinaples numcrad dlscretc varIaflona1 method was employed to study the electrontc structure olCuz, using the So appro\tm;ll~on for the exchange tntetactlon. Oneelectron eigenvahtes and ionization potentnls are given. Results are dacussed tn the framework of the appro\imatlons used, and com