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Symmetry breaking in charge-transfer compounds. The effects of electric fields and substituents on the properties of bipyrazine cations

✍ Scribed by Leif A. Eriksson; Nessima Salhi-Benachenhou; Osvaldo Goscinski

Publisher
Springer
Year
1994
Weight
799 KB
Volume
4
Category
Article
ISSN
0925-5125

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The failure of theoretical approaches to account for the dependence of the electric mobilities of small cations on ion size and charge has led us to investigate the possible influence of quantum-mechanical effects on electric mobilities. Ab initio SCF calculations show that charge transfer in comple