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Antitumor and antimicrobial effect of syringic acid urea cocrystal: structural and spectroscopic characterization, DFT calculation and biological evaluation
A Zochedh, M Priya, A Shunmuganarayanan… - Journal of Molecular …, 2023 - Elsevier
The syringic acid urea (SYRAUA) cocrystal was produced at room temperature using a slow
evaporation approach. The SYRAUA formed as orthorhombic crystal with the Cmca space …
evaporation approach. The SYRAUA formed as orthorhombic crystal with the Cmca space …
Computational studies on optoelectronic and nonlinear optical properties of para-substituted nitrobenzofurazan compound
The activated chlorine atom on 4-chloro-7-nitrobenzofurazan (NBD-chloride, NBD-Cl) by
piperidine, secondary amine, yields a product of the nucleophilic aromatic substitution (SN …
piperidine, secondary amine, yields a product of the nucleophilic aromatic substitution (SN …
Design, molecular docking analysis of an anti-inflammatory drug, computational analysis and intermolecular interactions energy studies of 1-benzothiophene-2 …
A Sagaama, N Issaoui - Computational biology and chemistry, 2020 - Elsevier
In this paper, theoretical study on molecular geometry, vibrational, pharmaceutical and
electronic properties of the monomeric and dimeric structures of 1-benzothiophene-2 …
electronic properties of the monomeric and dimeric structures of 1-benzothiophene-2 …
Synthesis, crystal growth and characterization of piperazinium 5-nitrosalicylate (P5NS) single crystal for nonlinear optical (NLO) applications
A single crystal of Piperazinium 5-nitrosalicylate (P5NS) was grown by using slow
evaporation solution technique (SEST). The structural analysis (crystal system & cell …
evaporation solution technique (SEST). The structural analysis (crystal system & cell …
Synthesis, crystal structure, hirshfeld surface analysis, spectral and quantum chemical studies of pharmaceutical cocrystals of a bronchodilator drug (Theophylline)
Abstract Co-crystals of Theophylline Resorcinol monohydrate (THR) and Theophylline
Pyrogallol monohydrate (THPY) have been crystallized and their molecular structures were …
Pyrogallol monohydrate (THPY) have been crystallized and their molecular structures were …
[HTML][HTML] Quantum computational investigation into optoelectronic and topological properties of a synthesized nanocomposite containing Hydroxyapatite-alt …
This study focuses on the experimental thermal response analysis of a newly synthesized
nanocomposite, denoted as HAP/PEG, containing Hydroxyapatite-alt-Polyethylene Glycol …
nanocomposite, denoted as HAP/PEG, containing Hydroxyapatite-alt-Polyethylene Glycol …
Structural characterization, quantum chemical calculations and Hirshfeld surface analysis of a new third order harmonic organic crystal: 2-Amino-4-methylpyridinium …
S Madhankumar, P Muthuraja… - Journal of Molecular …, 2020 - Elsevier
A new organic non-linear optical crystal, 2-amino-4-methylpyridinium benzilate (2-A4MPB)
was synthesized and single crystals were grown by slow evaporation-solution growth …
was synthesized and single crystals were grown by slow evaporation-solution growth …
Hydrogen bonded R22 (8) graph set in inducing charge transfer mechanism in guanidinium-3, 5-dinitrobenzoate: a combined experimental, theoretical and Hirshfeld …
P Muthuraja, TJ Beaula, T Shanmugavadivu… - Journal of Molecular …, 2017 - Elsevier
Abstract A supramolecular crystal, guanidinium-3, 5-dinitrobenzoate (GDNB), was
synthesised and its structure was confirmed by single crystal X-ray diffraction at 25° C …
synthesised and its structure was confirmed by single crystal X-ray diffraction at 25° C …
Synthesis, structure, growth, characterization and quantum chemical studies on 2-amino-5-bromopyridinium trichloroacetate: A novel phasematchable organic NLO …
Organic crystals have become excellent candidates towards nonlinear optical (NLO)
applications as they possess superior second and third order optical nonlinearities and high …
applications as they possess superior second and third order optical nonlinearities and high …
Two novel melt-cast cocrystal explosives based on 2, 4-dinitroanisole with significantly decreased melting point
S Sun, H Zhang, J Xu, S Wang, C Zhu… - Crystal Growth & …, 2019 - ACS Publications
Typically, explosive formulations are processed in large anchor melt-cast kettles heated by
hot water or steam under low shear conditions. Hence, it is difficult to use some melt-cast …
hot water or steam under low shear conditions. Hence, it is difficult to use some melt-cast …