Organic compounds are desirable alternatives for sustainable lithium‐ion battery electrodes.
However, the electrochemical properties of state‐of‐the‐art organic electrodes are still …

Phthalic anhydride (PA) was studied Spectroscopically by NMR (1 H NMR and 13 C NMR),
FT-IR, UV-Visible and quantum chemically by DFT approach. 3D and 2D surface analysis …

Abstract The synthesized (E)-3-(benzofuran-2-yl)-2-(thiophen-2-yl) acrylonitrile (TACNBNF)
crystal compound was characterized using FT-IR, 1 H and 13 C NMR analyses, ESI-mass …

The experimental and theoretical study on molecular structure and vibrational spectra of 2, 7-
dinitrofluorene (DNF) have been investigated. The FTIR and FT-Raman experimental …

Abstract Vibrational spectra of 5-nitrobenzimidazole (5NBZ) have been tested and the
density functional hypothesis are carried out to guarantee the vibrational assignments. The …

A cluster model of condensed matter has been used to demonstrate that the observed peaks
in the IR spectra of crystals and liquids correspond to the most stable cluster structures with …

В статье предлагается новый метод описания взаимного расположения наблюдаемых
частот в ИК-спектрах жидкостей в рамках кластерной модели. Показано, что частоты …

Аннотация Цель. Исследование комбинационного рассеяния света в жидких аренах и
их галогенозамещенных в низкочастотной области спектра с учетом процессов …

Abstract Density Functional Theory methods (BLYP, B3PW91, and B3LYP) with the 6-311G
(d, p) basis set were used to calculate the molecular structure, vibrational frequencies and …

The molecular structure, vibrational frequencies and intensities of N-(3-tert-butyl-2-
hydroxybenzylidene)-2, 6-diphenyl-4-hydroxyaniline were calculated by the Density …