๐”– Bobbio Scriptorium
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LCAO-MO-SCF-Calculations on the stability and Sterochernistry of hydrogen bonds

โœ Scribed by Peter Schuster


Publisher
Springer
Year
1970
Tongue
English
Weight
689 KB
Volume
19
Category
Article
ISSN
1432-2234

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๐Ÿ“œ SIMILAR VOLUMES


AB initio SCF LCAO MO study of the HOHโ€ฆC
โœ Lucjan Piela ๐Ÿ“‚ Article ๐Ÿ“… 1973 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 312 KB

Ab initio SCF LCAO hi0 calculations for the [ HzO.. Cl]complex have been performed. The energy of the linear hydrogen bond has been found to be.lower than the energy of the bifurcated one. The difference of the energies is about 3 kcai/mole. The calculated equilibrium distance between the oxygen and

LCAO MO SCFฯ€-electron calculations on th
โœ A. Kaito; T. Nozawa; T. Yamamoto; M. Hatano; Y. Orii ๐Ÿ“‚ Article ๐Ÿ“… 1977 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 606 KB

The transition energies, the oscillator strengths, and the ,4/L) values of porphin, protoporphyrin, and porphyrin a were calculated within the framework of the Wiser-I'arr-Popfc approximation. The calculated values are in reasonable agreement wzth the experimental data obtained from the ab$orption a