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Study of the structural and thermodynamic stability of pentacoordinated nitrogen compounds NF2X3(X = H, Cl, Br):Ab initiocalculations

✍ Scribed by I. V. Getmanskii; R. M. Minyaev

Publisher
SP MAIK Nauka/Interperiodica
Year
2008
Tongue
English
Weight
183 KB
Volume
49
Category
Article
ISSN
0022-4766

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## Abstract HF, MP2, and B3LYP calculations with different basis sets have been used in the computation of the stabilization energies of C~3~H~7~X isomers, where X is F, Cl, and Br. The experimental stabilization energies of the structural isomers of C~3~H~7~Cl and C~3~H~7~Br have been reproduced v