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Influence of the electronic structure of a free radical on complex-formation with a diamagnetic molecule

✍ Scribed by V. S. Kuts; T. S. Slipenyuk; É. P. Platonova; V. D. Pokhodenko

Book ID
112359904
Publisher
Springer
Year
1978
Tongue
English
Weight
383 KB
Volume
13
Category
Article
ISSN
0040-5760

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## Equations giving the dispersion contribution to the free energy of salvation of a molecule in a dielectric continuum are used to establish the SCF equations of the solvated molecule. The electronic structure obtained by mmimizing the overall energy (molecular+ solvation) differs slightly from t