A Quantum Theoretical Basis for Some Spectra �? Structure Correlations in Crystalline Hydrates

Croatica Chemica Acta

Ivanovski, Gjorgji²  Petruševski, Vladimir M.¹  Pejov, Ljupčo¹ 

[1] Institute of Chemistry, Arhimedova 5, P.O.B. 162, 91000 Skopje, Macedonia;Institute of Physics, Gazi baba bb, 91000 Skopje, Macedonia

关键词: Perturbation theory;    Hellmann-Feynmann theorem;    hydrogen bonding;    frequency-structure correlations;    anharmonic oscillator;    intramolecular...;   

DOI  :  

学科分类：化学（综合）

来源: Croatica Chemica Acta

【 摘 要 】

Starting with the perturbation theory and the Hellmann-Feynmann theorem, an attempt was made to derive a fundamental theoretical basis for some frequency �? structure correlations in crystalline hydrates. It was found that within a few...

【 授权许可】

Unknown