Synthesis, structure, surface analysis, molecular docking, physico-chemical characteristics, and DFT calculus discussion of a novel hybrid perovskite material …
Abstract XRD, FT-IR, Hirshfeld surface, TG-DTA, and ultimately a DFT calculation using
Gaussian software were used to describe the novel perovskite based on chloromercurate (II) …
Gaussian software were used to describe the novel perovskite based on chloromercurate (II) …
Investigation of structural, optical, and thermal properties of 2-amino-4, 6-dimethylpyrimidine benzoic acid (2APB) single crystal for non-linear optical (NLO) …
Abstract The 2-amino-4, 6-dimethylpyrimidine benzoic acid (2APB) single crystal has been
successfully grown by the slow evaporation method by using water as a solvent. The single …
successfully grown by the slow evaporation method by using water as a solvent. The single …
Azafluorene derivatives as inhibitors of SARS CoV-2 RdRp: synthesis, physicochemical, quantum chemical, modeling and molecular docking analysis
Abstract The crystal structures of 2-(1H-indol-3-yl)-4-phenyl-5H-indeno [(Cheng et al., 2007;
Lee et al., 2003) 1, 21, 2-b] pyridine-3-carbonitrile (Ia) and 2-(1H-indol-3-yl)-4-(4 …
Lee et al., 2003) 1, 21, 2-b] pyridine-3-carbonitrile (Ia) and 2-(1H-indol-3-yl)-4-(4 …
Comprehensive analysis of the structural, elastic, electronic, optical, and mechanical properties of orthorhombic CS (NH2) 2 under pressure: A first-principles …
A Eddhimi, H Lgaz, H Lee, H Zouihri - Materials Today Communications, 2023 - Elsevier
This study provides a comprehensive theoretical assessment of the orthorhombic compound
CS (NH 2) 2, examining its properties under varying pressure conditions. Employing the …
CS (NH 2) 2, examining its properties under varying pressure conditions. Employing the …
Synthesis, crystal growth, physicochemical properties and quantum chemical investigations of a D–π–A type organic single crystal: 2-amino-5-nitropyridinium p …
Efficient organic nonlinear optical (NLO) 2-amino-5-nitropyridinium p-phenolsulfonate
(2A5NPP) single crystals have been grown by slow cooling method using methanol as a …
(2A5NPP) single crystals have been grown by slow cooling method using methanol as a …
A 3D copper (II) coordination polymer based on sulfanilic acid ligand (CP 1) for efficient biomolecular interaction with bovine serum albumin: spectroscopic, molecular …
Several biochemical reactions occur during the interaction of metal complexes and proteins
due to conformational modifications in the structure of the protein, which provide …
due to conformational modifications in the structure of the protein, which provide …
Surface-enhanced Raman scattering and quantum chemical studies of 2-trifluoroacetylpyrrole chemisorbed on colloidal silver and gold nanoparticles: A comparative …
Surface-enhanced Raman scattering (SERS) studies of 2-trifluoroacetylpyrrole (TFAP)
molecule adsorbed on synthesized colloidal silver nanoparticles (SNPs) and gold …
molecule adsorbed on synthesized colloidal silver nanoparticles (SNPs) and gold …
Bulk crystal growth, optical, electrical, thermal, and third order NLO properties of 2-[4-(Diethylamino) benzylidene] malononitrile (DEBM) single crystal
P Asokan, S Kalainathan - The Journal of Physical Chemistry C, 2017 - ACS Publications
Bulk organic nonlinear optical (NLO) single crystals of DEBM (2-[4-(diethylamino)
benzylidene] malononitrile), with sizes up to 22× 5× 12 mm3 have been grown in ethyl …
benzylidene] malononitrile), with sizes up to 22× 5× 12 mm3 have been grown in ethyl …
Physico-chemical characterization, Hirshfeld surface analysis and opto-electric properties of a new hybrid material: Tris (2-amino-5-chloropyridinium) …
Z Ouerghi, T Roisnel, R Fezai, R Kefi - Journal of Molecular Structure, 2018 - Elsevier
One novel bismuth (III) hybrid compound with 2-amino-5-chloropyridine was prepared. The
crystal was grown by slow evaporation method at room temperature. The structure was …
crystal was grown by slow evaporation method at room temperature. The structure was …
Synthesis, growth, characterization and quantum chemical investigations of a promising organic nonlinear optical material: thiourea-glutaric acid
A promising organic nonlinear optical (NLO) material of thiourea-glutaric acid (TG) has been
synthesized and its single crystals were grown by a conventional slow evaporation method …
synthesized and its single crystals were grown by a conventional slow evaporation method …