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physics.chem-ph2007
Carbon in the trigonal prismatic environment of rheniums complexes
Svyatoslav P. Gabuda, Svetlana G. Kozlova, Yuri V. Mironov +1
The electronic state of carbon in trigonal prismatic environment of rheniums was studied with electron localization function and was shown to be characterized by sp2 hybridisation…
physics.chem-ph2006
Stability and proton exchange in Te(OH)6
S. P. Gabuda, S. G. Kozlova, V. V. Panov +2
We consider the problem of mobility and localization of hydrogen atoms in the Te(OH)6 crystals. The model of particles moving in a rapidly oscillating field was used.