Molecular structure, vibrational, HOMO-LUMO, MEP and NBO analysis of hafnium selenite

Authors

Keywords

[Hf(SeO, 3, ), 2, (H, 2, O), 4, ]·2H, 2, O, Quantum chemical calculations, Geometry optimization, Electronic properties

Journal

Volume 1141, Issue -, Pages 668-677

Publisher

Elsevier BV

Online

2017-04-05

DOI

10.1016/j.molstruc.2017.04.004

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