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Density Functional Study of the Structure and Infrared Spectrum of Ethyl Chlorophyllide (A)

โœ Scribed by K. V. Berezin; V. V. Nechaev; O. D. Ziganshina


Book ID
111594645
Publisher
SP MAIK Nauka/Interperiodica
Year
2004
Tongue
English
Weight
123 KB
Volume
45
Category
Article
ISSN
0022-4766

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A density functional study of the electr
โœ Ross M. Dickson; Tom Ziegler ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 557 KB

Multiplet splittings for six excited electronic configurations of the permanganate ion, MnO;, are calculated. Earlier density functional calculations on the same subject are improved upon by the numerical evaluation of some two-electron integrals to resolve certain multideterminantal states. Excelle