STUDY OF FORMAMIDE - WATER COMPLEXES WITH RAMAN SPECTROSCOPY AND THEORETICAL CALCULATIONS

B.Khudaykulov, A.Absanov, U.Holikulov, B.Iltazarov

Nashr: №129

20.01.2023

1197 marta o'qildi

593 ta yuklash

10 bet

DOI: https://doi.org/10.59251/2181-1296.v5.1292.878

Annotatsiya

: In this work, the geometric optimization of molecular complexes in aqueous solutions of an isolated formamide molecule in three different methods: Hartree-Fock (HF), density function theory (DFT) and the second order Møller–Plesset (MP2) pertrubation theory studied on the set of bases 6-311++G (2d, p).

Kalit so'zlar:

formamide DFT MP2 HF Raman spectra.

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