Keywords: کریستال تک XRD; Solvent free synthesis; Single crystal XRD; Phase diagram; Fluorescence; Quantum yield; DSC;
مقالات ISI کریستال تک XRD (ترجمه نشده)
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Keywords: کریستال تک XRD; Microwave synthesis; N-aroyl-Nâ²-aryl thioureas; Single crystal XRD; Urease inhibition; Cytotoxicity;
Keywords: کریستال تک XRD; Quinazoline-sulfonamide; Single crystal XRD; TG-DTA; Hirshfeld interactions; Antimicrobial; Cytotoxicity;
Keywords: کریستال تک XRD; 2-Nitrobenzaldehyde; Metal complex; Single crystal XRD; Antimicrobial activity; Candida albicans;
Keywords: کریستال تک XRD; Single crystal XRD; Hydrogen bonding; Hirshfeld surface analsyis; DFT; NBO;
Keywords: کریستال تک XRD; Slow evaporation method; Crystal structure; Single crystal XRD; 1H and 13C FT-NMR; UV-Vis-NIR; TG-DTA;
Keywords: کریستال تک XRD; Oxalic acid; Slow cooling; Nucleation kinetics; Single crystal XRD;
Structural elucidation and bioassays of newly synthesized pentavalent antimony complexes
Keywords: کریستال تک XRD; Pentavalent antimony complexes; Antileishmanial; Anticancer; Single crystal XRD; NUTAGKUIODKXCM-KAXWIGTNSA-L; QKPXXLSFKRIGJQ-KAXWIGTNSA-L; GCLVVRUZJNPANA-XFEDIEGASA-L; DBMNIESBRHVUPX-ZIXAZJSVSA-L; LUIKXKNSOKWVLB-ZIXAZJSVSA-L;
Keywords: کریستال تک XRD; Single crystal XRD; Hirshfeld surfaces; Hyperpolarizability; NBO analysis;
Keywords: کریستال تک XRD; Spectroscopic studies; Single crystal XRD; HOMO-LUMO; NBO analysis; Hirshfeld surface;
Keywords: کریستال تک XRD; Single crystal XRD; DFT; ALIE; RDF; Molecular docking;
Keywords: کریستال تک XRD; 2,7-Diaryl-1,4-diazepan-5-ones; Chair conformation; Single crystal XRD; Molecular docking; Antibacterial; Antioxidant
Keywords: کریستال تک XRD; Chemosensing; Single crystal XRD; TDDFT; Molecular logic gate;
Keywords: کریستال تک XRD; CHMTM; Single crystal XRD; Hirshfeld surface; NLO; 2D-Fingerprint plot;
Keywords: کریستال تک XRD; FTIR; Dielectric; Photoconductivity; Single crystal XRD; NLO;
Keywords: کریستال تک XRD; Semiorganic compound; Growth from solution; Single crystal XRD; Thermogravimetric analysis; Optical properties
Keywords: کریستال تک XRD; Single crystal XRD; Anticancer activity; FT-IR; FT-Raman; DFT; HOMO-LUMO;
Keywords: کریستال تک XRD; Single crystal; NLO; Single crystal XRD; Optical transmission
Keywords: کریستال تک XRD; Crystal growth; NLO; Optical transmission; Single crystal XRD; Mechanical properties
Keywords: کریستال تک XRD; Single crystal XRD; FT-IR spectrum; FT-Raman spectrum; Vibrational analysis; Quantum chemical analysis;
Keywords: کریستال تک XRD; Solution growth method; Single crystal XRD; UV-vis-NIR absorption; FTIR spectrum; Z-scan technique; Third order non-linear property;
Keywords: کریستال تک XRD; Short hydrogen bonds; Single crystal XRD; FT-IR; IINS; DFT;
Keywords: کریستال تک XRD; Mercaptodiaminopyrimidine Schiff base; Single crystal XRD; Molecular docking; DNA and β-CD binding; DFT
Synthesis, growth and characterization of a new NLO active chalcone derivative - 4-chloro-N-{3-[(2E)-3-(methoxyphenyl)prop-2-Enoyl]phenyl}benzamide monohydrate
Keywords: کریستال تک XRD; Chalcone; Crystal growth; Single crystal XRD; 1H and 13C NMR; TG/DSC; NLO;
Synthesis, experimental and theoretical studies on highly functionalized novel 4H-pyran-3-carboxylate
Keywords: کریستال تک XRD; MCR; 4H-pyran; DFT; Single crystal XRD;
Synthesis, crystal structure and excellent photoluminescence properties of copper (II) and cobalt (II) complexes with Bis(1[(4-butylphenyl)imino]methyl naphthalen-2-ol) Schiff base
Keywords: کریستال تک XRD; 1[(4-butylphenyl)imino]methylnaphthalen-2-ol; Schiff base; Cu (II) and Co (II)complex; Photoluminescence; Single crystal XRD; OLED;
Spectral, optical, thermal, Hirshfeld analysis and computational calculations of a new organic proton transfer crystal, 1H-benzo[d][1,2,3]triazol-3-ium-3,5-dinitrobenzoate
Keywords: کریستال تک XRD; Spectroscopic studies; Single crystal XRD; HOMO-LUMO; Supramolecular synthon; Hirshfeld surface;
Synthesis, structural, optical and thermal properties of N-methyl-N-aryl benzamide organic single crystals grown by a slow evaporation technique
Keywords: کریستال تک XRD; Organic compound; Crystal structure; Single crystal XRD; 1H NMR; Nonlinear optical materials;
Structural characterization and DFT study of a new optical crystal: 2-amino-3-methylpyridinium-3,5-dinitrobenzoate
Keywords: کریستال تک XRD; Spectroscopic studies; Single crystal XRD; HOMO-LUMO; Hyperpolarizabiity; Hirshfeld surface;
Crystal growth and characterization of new nonlinear optical piperidine derivative: (4-hydroxypiperidin-1-yl)(4-methylphenyl) methanone
Keywords: کریستال تک XRD; Piperidine; Crystal growth; Non-centrosymmeric; Second harmonic generation efficiency; Single crystal XRD; 13C NMR; 1H NMR; FT-IR; UV-Visible; Photoluminescence studies; TG/DTA; Vicker's micro hardness;
Intracellular application and logic gate behavior of a 'turn off-on-off' type probe for selective detection of Al3+ and Fâ ions in pure aqueous medium
Keywords: کریستال تک XRD; Fluorescent probe; Single crystal XRD; Detection limit; Cell imaging; Logic gate behavior;
Spectroscopic investigation, fluorescence quenching, in vitro antibacterial and cytotoxicity assay of Co(II) and Ni(II) complexes containing 4-((3-ethoxy-2-hydroxy benzylidene)amino)-N-(pyridin-2-yl)benzenesulfonamide
Keywords: کریستال تک XRD; Sulpha pyridine; Co(II) and Ni(II) complex; Single crystal XRD; Cytotoxicity;
Synthesis, crystal structure, spectroscopic and docking studies of mononuclear, mono(bis(2-(4-butylphenyl)imino)methyl)phenoxy)zinc(II) dichloride complex as a promising candidate for α-glucosidase inhibition
Keywords: کریستال تک XRD; Single crystal XRD; Spectroscopic studies; Molecular docking; Photoluminescence property; In vitro α-glucosidase inhibition studies;
The experimental and theoretical landscape of a new antiplatelet drug ticagrelor: Insight into supramolecular architecture directed by CHâ¯F, Ïâ¯Ï and CHâ¯Ï interactions
Keywords: کریستال تک XRD; Single crystal XRD; DFT studies; Hirshfeld surface; Supramolecular synthon; Ï stacking;
Synthesis, single crystal X-ray, spectroscopic (FT-IR, UV-vis, fluorescence, 1H &13C NMR), computational (DFT/B3LYP) studies of some imidazole based picrates
Keywords: کریستال تک XRD; Picrate; Single crystal XRD; Hirshfeld surface analysis; TGA; DFT;
Hydrogen bonded 2-methyl-1H-imidazol-3-ium 3,5-dinitrobenzoate 3,5-dinitrobenzoic acid, a new optical crystal: Evaluation of properties by structural, spectral, quantum chemical calculations, Z-scan and Hirshfeld studies
Keywords: کریستال تک XRD; Spectroscopic studies; Single crystal XRD; HOMO-LUMO; Hyperpolarizabiity; Hirshfeld surface;
Zeolite encapsulated host-guest Cu(II) Schiff base complexes: Superior activity towards oxidation reactions over homogenous catalytic systems
Keywords: کریستال تک XRD; Cu(II) Schiff base complexes; Single crystal XRD; Homogenous and heterogeneous catalysis; Phenol oxidation mechanism; Metal hydroperoxide species;
EPR and optical absorption studies of paramagnetic molecular ion (VO2+) in Lithium Sodium Acid Phthalate single crystal
Keywords: کریستال تک XRD; Crystal growth; Single crystal XRD; EPR; Crystal fields; Optical absorption; Bonding parameters;
Chirality of the trisubstituted nitrogen center - XRD, dynamic NMR, and DFT investigation of 1,2-dihydrobenzo[e][1,2,4]triazine derivatives
Keywords: کریستال تک XRD; Chirality; Dynamic NMR; Heterocyclic chemistry; Single crystal XRD; DFT calculations; ZIQHUOBWGNBVFO-UHFFFAOYSA-N; HBYKZYPFZRNYBV-UHFFFAOYSA-N;
Synthesis, growth and characterization of o-phenylinediaminium benzilate: An SHG material with high laser damage threshold for NLO applications
Keywords: کریستال تک XRD; Organic compounds; Crystal structure; Single crystal XRD; Thermal properties; Nonlinear optical material; Laser damage threshold;
Spectral, optical, thermal, Hirshfeld, antimicrobial studies and computational calculations of a new organic crystal, 1H-benzo[d]imidazol-3-ium-3,5-dinitrobenzoate
Keywords: کریستال تک XRD; Spectroscopic studies; Single crystal XRD; HOMO-LUMO; NBO analysis; Hirshfeld surface;
Synthesis, single crystal structure and spectroscopic aspects of chalcone 2(2E)-1-(4â²-bromobiphenyl-4-yl)-3-(2, 3-dimethoxybenzaldhyde) prop-2-ene-1-one
Keywords: کریستال تک XRD; Bromobiphenyl; Dimethoxybenzaldhyde; FT-Raman; UV; FT-IR; NLO; Chalcone; TGA; Single crystal XRD;
Probing mechanism of α-formylketene dithioacetal towards the facile formation of functionalized pyrimidines: A structural approach
Keywords: کریستال تک XRD; Formyl ketene dithioacetal; Pyrimidine; Single crystal XRD; Molecular dynamics; Quantum; Chemical calculations; CAKOAHUFRBGVAE-UHFFFAOYSA-N;
Synthesis, structure characterization, in vitro and in silico biological evaluation of a new series of thiazole nucleus integrated with pyrazoline scaffolds
Keywords: کریستال تک XRD; Thiazole; Anticancer activity; Molecular docking; Single crystal XRD;
Studies on synthesis, structural, luminescent and thermal properties of a new non-linear optical crystal: 4-amino-4H-1,2,4-triazol-1-ium-3-hydroxy-2,4,6-trinitrophenolate
Keywords: کریستال تک XRD; Single crystal XRD; Phosphorescence; Hydrogen bonding; Hirshfeld; Hyperpolarizability;
Polymorphs of 4-isopropylbenzylidine thiophene-2-carbohydrazide: Crystal growth and density functional theory computations
Keywords: کریستال تک XRD; Polymorph; Single crystal XRD; 4-Isopropylbenzylidine thiophene-2-carbohydrazide;
Synthesis, growth, structural, optical, thermal, electrical and mechanical properties of hydrogen bonded organic salt crystal: Triethylammonium-3, 5-dinitrosalicylate
Keywords: کریستال تک XRD; Crystal growth; Single crystal XRD; Thermal properties; Dielectric properties; Mechanical properties;
Synthesis, spectral and structural characterization of isobutyl 4-(2-chlorophenyl)-5-cyano-6-(((dimethylamino)methylene)amino)-2-methyl-4H-pyran-3-carboxylate
Keywords: کریستال تک XRD; Formamidine; FT-Raman; NMR; Single crystal XRD; DFT; Benzene 1,3,5- tricarbonyl trichloride;
Synthesis, spectral, structural and DFT studies of novel dialkylfluorene decorated phenothiazine-3-carbaldehyde
Keywords: کریستال تک XRD; Phenothiazine-fluorene; Single crystal XRD; DFT; NMR;
Growth, optical, electrical and mechanical properties of sodium hydrogen oxalate hydrate (NaHC2O4·H2O) single crystal for NLO applications
Keywords: کریستال تک XRD; Growth from solution; Single crystal XRD; Optical material; Dielectric materials; Nonlinear optic materials;