Anisotropy (optical, electrical and thermal conductivity) in thin polarizing films for UV/Vis regions of spectrum: Experimental and theoretical investigations

H Yahyaei, S Shahab, M Sheikhi, L Filippovich… - … Acta Part A: Molecular …, 2018‏ - Elsevier
In the present work, the quantum theoretical calculations of the molecular structures of the
three newly synthesized azomethine dyes: Image 1 Download: Download high-res image …

Quantum chemical modeling of new derivatives of (E, E)-azomethines: Synthesis, spectroscopic (FT-IR, UV/Vis, polarization) and thermophysical investigations

S Shahab, M Sheikhi, L Filippovich… - Journal of Molecular …, 2017‏ - Elsevier
In the present work, the molecular structures of three new azomethine dyes: N-benzylidene-
4-((E)-phenyldiazenyl) aniline (PAZB-1), 2-methoxy-4-(((4-((E)-phenyldiazenyl) phenyl) …

Synthesis, geometry optimization, spectroscopic investigations (UV/Vis, excited states, FT-IR) and application of new azomethine dyes

S Shahab, M Sheikhi, L Filippovich, R Kumar… - Journal of Molecular …, 2017‏ - Elsevier
In the present work, the quantum theoretical calculations of the molecular structures of the
four new synthesized azomethine dyes such as: 1.(E)-N-(4-butoxybenzylidene)-4-((E) …

New derivatives of (E, E)-azomethines: Design, quantum chemical modeling, spectroscopic (FT-IR, UV/Vis, polarization) studies, synthesis and their applications …

M Sheikhi, S Shahab, L Filippovich, H Yahyaei… - Journal of Molecular …, 2018‏ - Elsevier
Abstract In present work, Polarization, Excited States, FT-IR, 1 H, 13 C NMR, Trans–Cis (E→
Z) Isomerization Properties and Anisotropy of Thermal and Electrical Conductivity of the …

Design of geometry, synthesis, spectroscopic (FT-IR, UV/Vis, excited state, polarization) and anisotropy (thermal conductivity and electrical) properties of new …

S Shahab, M Sheikhi, L Filippovich, E Dikusar… - Journal of Molecular …, 2018‏ - Elsevier
In the present work, the molecular structures of two new azomethine dyes: Image Download:
Download high-res image (99KB) Download: Download full-size image have been predicted …

Spectroscopic Studies (Geometry Optimization, EZ Isomerization, UV/Vis, Excited States, FT-IR, HOMO-LUMO, FMO, MEP, NBO, Polarization) and Anisotropy of …

S Shahab, M Sheikhi, L Filippovich, M Khaleghian… - Silicon, 2018‏ - Springer
In the present work, first time the molecular structures of three newly synthesized
azomethine dyes:(1Z)-N-benzylidene-4-((E)-1-(oxim) ethyl) benzenamine (AAFOX-1), 4 …

Facile fabrication and tunable electronic properties of Azure A chloride/Si heterojunction for photoelectrical application

EFM El-Zaidia, AAA Darwish, SA Al-Ghamdi… - Physica B: Condensed …, 2024‏ - Elsevier
In this study, the fabrication, structural, and photoelectrical properties of AZACl on Si
heterojunction (AZACl/Si HJ) were examined. The morphology of the thin film of AZACl was …

[PDF][PDF] Spectroscopic (polarization, excitedstate, FT-IR, UV/Vis and 1H NMR) and thermophysical investigations of new synthesized azo dye and its application in …

S Shahab, L Filippovich, M Sheikhi… - Am. J. Mater. Synth …, 2017‏ - academia.edu
Quantum-chemical calculations using the Density Functional Theory (DFT) approach for
structural analysis of a new azo benzene derivative: Sodium 6-amino-5-hydroxy-3-((E)-(2 …

[PDF][PDF] Synthesis, DFT study and bioactivity evaluation of new butanoic acid derivatives as antiviral agents

HA Almodarresiyeh, S Shahab, S Kaviani… - Biointerface Res Appl …, 2022‏ - researchgate.net
In the present work, at first, density functional theory (DFT) calculations were utilized for the
molecular design of the four new butanoic acid derivatives at B3LYP/6-31+ G (d) level of …

Optimization, spectroscopic (excited states, UV/Vis, polarization) studies, FMO, ELF, LOL, QTAIM, NBO analysis and electronic properties of two new azomethine …

S Shahab, M Sheikhi, L Filippovich, E Dikusar… - Russian Journal of …, 2020‏ - Springer
In the current study, the molecular structures of the two new azomethine dyes such as
AAFOH-1 and AAFOH-2 have been investigated with the use of density functional theory …