Keywords: سطح هیرشفلد; Non-linear optical properties; Hirshfeld surface; Chalcones;
مقالات ISI سطح هیرشفلد (ترجمه نشده)
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Keywords: سطح هیرشفلد; Cinnamide derivative; Crystal structure; Hirshfeld surface; MTT assay; Anti-ischemic activity;
Keywords: سطح هیرشفلد; Crystal structure; Polymorph; Salt; X-ray; Hirshfeld Surface;
Keywords: سطح هیرشفلد; Meloxicam; Polymorphism; Hirshfeld surface; Anti-inflammatory activity;
Keywords: سطح هیرشفلد; Melamine; Fluorophenylacetic acid isomers; Hydrogen bond; Co-crystal; Hirshfeld surface; Vibrational spectroscopy;
Keywords: سطح هیرشفلد; Hirshfeld surface; Charge density; Gradient vector field; Electrostatic potential; Dipole moment;
Keywords: سطح هیرشفلد; Hydroxylated chalcone; Hirshfeld surface; DFT;
Synthesis, characterization, thermal, optical, crystal structure and Hirshfeld surface analysis of 2-((Pyridin-4-yl)methyl)isoindoline-1,3-dione
Keywords: سطح هیرشفلد; Isoindoline; Pyridine; X-ray diffraction; Crystal structure; Hirshfeld surface;
Keywords: سطح هیرشفلد; 4-(4-carboxyphenyl)-1,2,4-triazole; Metal complex; Crystal structure; Hirshfeld surface;
Keywords: سطح هیرشفلد; Hirshfeld surface; Fingerprint plots; Co-crystals; Isonicotinylhydrazine; Hydrogen bonds;
Keywords: سطح هیرشفلد; Chalcones; Single crystals; Hirshfeld surface; Nonlinear optics; Optical limiting; LZSFDCXYRJOYFZ-UHFFFAOYSA-N;
Keywords: سطح هیرشفلد; Spectroscopic studies; Single crystal XRD; HOMO-LUMO; NBO analysis; Hirshfeld surface;
Keywords: سطح هیرشفلد; QSAR; Hirshfeld surface; Cytotoxicity; Flavonoid derivatives; Pyrazoline
Keywords: سطح هیرشفلد; Molecularly imprinted polymer; Ergot alkaloids; Solvatomorphs; Hirshfeld surface;
Keywords: سطح هیرشفلد; Azole ligands; Dimeric complexes; Transition metal; Fluorescent property; Hirshfeld surface
Keywords: سطح هیرشفلد; Dosage form; Salt; Vinpocetine; Hirshfeld surface; Stability
Keywords: سطح هیرشفلد; Crystal engineering; Melamine; Chlorophenylacetic acid isomers; Hydrogen bond; Hirshfeld surface; Vibrational spectroscopy
Keywords: سطح هیرشفلد; CHMTM; Single crystal XRD; Hirshfeld surface; NLO; 2D-Fingerprint plot;
Keywords: سطح هیرشفلد; DATB; High pressure; DFT; Hirshfeld surface;
Keywords: سطح هیرشفلد; Tetrahydrobenzothienopyrimidine derivatives; Crystal structures; DFT calculations; Hirshfeld surface; HOMA index;
Keywords: سطح هیرشفلد; Biomimetic; Uracil; 1-D polymer; Bidentate; Solvatomorphs; Hirshfeld surface
Keywords: سطح هیرشفلد; Coordination polymer; Mercury(II) complexes; Iodide-bridged complexes; Solvent effect; Hirshfeld surface; Solvatomorphism
Keywords: سطح هیرشفلد; 6-Methylnicotinic acid; Metal complex; Crystal structure; Hirshfeld surface
Keywords: سطح هیرشفلد; Phosphonic acid; Hydrogen-bonding interaction; Vibrational spectroscopy; Single-crystal X-ray diffraction; Hirshfeld surface; Periodic calculations
Keywords: سطح هیرشفلد; Carbene proligands; Weak non-covalent interactions; Coopeartive π⋯π and anion⋯π interactions; Hirshfeld surface; Fingerprint plot
Keywords: سطح هیرشفلد; High-pressure crystal structure; Photochemical reaction; Reaction cavity; Hydrogen bonds; Hirshfeld surface
Synthesis, structural characterization, Hirshfeld analyses, and biological activity studies of Ni(II) and Zn(II) complexes containing the sulfonohydrazone group
Keywords: سطح هیرشفلد; Sulfonohydrazone; Single crystal; Metal complex; Hirshfeld surface; Antimicrobial activity; Pathogenic microorganism;
Synthesis, X-ray, spectroscopic characterization, DFT and antioxidant activity of 1,2,4-triazolo[1,5-a]pyrimidine derivatives
Keywords: سطح هیرشفلد; Triazolo[1,5-a]pyrimidine; X-ray; Hirshfeld surface; Antioxidant activity; DFT;
4-(2-nitrophenylsulfonamido)benzoic acid and its tri-n-butyltin(IV) complex: X-ray structural characterization and Hirshfeld surface analysis
Keywords: سطح هیرشفلد; Organotin complex; Sulfonamide; Single-cristal X ray diffraction; Hirshfeld surface;
Solid-state supramolecular structure formed between the 1-(diaminomethylene)thiourea and mellitic acid
Keywords: سطح هیرشفلد; 1-(diaminomethylene)thiourea; Mellitic acid; Supramolecular structure; Hydrogen bond; Hirshfeld surface; Vibrational spectroscopy;
A one-dimensional Ag(I) coordination polymer as luminescent sensor for detecting Cr2O72â and exhibiting highly photodegradation capacities for methylene blue solution
Keywords: سطح هیرشفلد; Crystal structure; Hirshfeld surface; Luminescent sensor; Photocatalytic property; Silver(I) coordination polymer;
Structural and spectroscopic characterization of bis[1-(diaminomethylene)thiouron-1-ium] naphthalene-1,5-disulfonate
Keywords: سطح هیرشفلد; Crystal structure; Hydrogen bond; Bis[1-(diaminomethylene)thiouron-1-ium] naphthalene-1,5-disulfonate; Hirshfeld surface; Vibrational spectroscopy;
Synthesis, crystal structure, Hirshfeld surface and DFT studies of ([Cu(3-ptp)2(p-TS)2]) from decomposition of tosylhydrazone
Keywords: سطح هیرشفلد; Decomposition of tosylhydrazone; Single crystal structures; Metal complexes; DFT; Hirshfeld surface; DNA bases; NMR spectra;
Molecular structure, Hirshfeld surface analysis, theoretical investigations and nonlinear optical properties of a novel crystalline chalcone derivative: (E)-1-(5-bromothiophen-2-yl)-3-(p-tolyl)prop-2-en-1-one
Keywords: سطح هیرشفلد; Trigonal planar conformation; Ï-conjugation; Hirshfeld surface; HOMO-LUMO; MEP; NLO properties;
Intermolecular interactions and molecular docking investigations on 4-methoxybenzaldehyde
Keywords: سطح هیرشفلد; 4-MBA; AIM analyses; Hirshfeld surface; HOMO-LUMO; Molecular docking;
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: سطح هیرشفلد; Spectroscopic studies; Single crystal XRD; HOMO-LUMO; Supramolecular synthon; Hirshfeld surface;
Synthesis, Hirshfeld surface analysis, laser damage threshold, third-order nonlinear optical property and DFT computation studies of Dichlorobis(DL-valine)zinc(II): A spectroscopic approach
Keywords: سطح هیرشفلد; Crystal growth; DFT; Hirshfeld surface; UV-Visible; Z-scan; Optical limiting;
Structural characterization and DFT study of a new optical crystal: 2-amino-3-methylpyridinium-3,5-dinitrobenzoate
Keywords: سطح هیرشفلد; Spectroscopic studies; Single crystal XRD; HOMO-LUMO; Hyperpolarizabiity; Hirshfeld surface;
Growth and characterization of ammonium nickel-copper sulfate hexahydrate: A new crystal of Tutton's salt family for the application in solar-blind technology
Keywords: سطح هیرشفلد; Solar-blind filters; Crystal growth; Hirshfeld surface; Thermogravimetric analysis; UV-Vis spectroscopy; Near-infrared spectroscopy;
Synthesis, crystal structures and Hirshfeld surface studies of chalcone derivatives: (2E)-1-(4-2, 4-Dichlorophenyl)-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one and (2E)-1-(4-Fluorophenyl)-3-[4-(propan-2-yl) phenyl] prop-2-en-1-one
Keywords: سطح هیرشفلد; Chalcones; Single crystal; Hirshfeld surface; Electrostatic potential; Finger print plots;
Synthesis, structural exploration and Hirshfeld surface analysis of a novel bioactive heterocycle: (4-(6-Fluorobenzo[d]isoxazol-3-yl) piperidin-1-yl)(morpholino)methanone
Keywords: سطح هیرشفلد; Piperidine; Morpholine; Anti-proliferative; Intermolecular interactions; Hirshfeld surface; Electrostatic potential;
Synthesis, molecular structure, vibrational and theoretical studies of a new non-centrosymmetric organic sulphate with promising NLO properties
Keywords: سطح هیرشفلد; Hybrids; X-ray diffraction; IR; Hirshfeld surface; NLO; DFT calculations;
Third-order optical nonlinearities of 1,5-Diaminoanthraquinone for optical limiting application
Keywords: سطح هیرشفلد; Z-Scan; Optical limiting; DFT; Third-order NLO; RSA; Hirshfeld surface;
Structural elucidation and Hirshfeld surface analysis of a novel pyrazole derivative: 3-(Benzo[d][1,3]dioxol-5-yl)-1-(3-chlorophenyl)-5-(2,4-dichlorophenyl)-4,5-dihydro-1H-pyrazole
Keywords: سطح هیرشفلد; Pyrazoles; X-ray diffraction; Intermolecular Interactions; Hirshfeld surface; Electrostatic potential;
Synthesis, crystal structure and Hirshfeld surface analysis of a benzoxazole derivative [2-[2-(4-Methylphenyl)ethenyl]-1,3-benzoxazole]
Keywords: سطح هیرشفلد; Heterocyclic compound; Oxazole ring; Toluene ring; Hirshfeld surface; Hydrogen bonds;
A 3D supramolecular architecture built from an Organic-Inorganic hybrid octamolybdate: Synthesis, characterization and Hirshfeld Surface Analyses
Keywords: سطح هیرشفلد; Organic-inorganic hybrid materials; Polyoxometalate; X-ray diffraction; Electrochemical measurements; 2-Methylimidazole; Hirshfeld surface;
Synthesis, structure, DNA binding and anticancer activity of mixed ligand ruthenium(II) complex
Keywords: سطح هیرشفلد; Ruthenium(II) piano-stool complex; Spectroscopic data; X-ray analysis; Hirshfeld surface; N,N-donor ligand; DNA binding;
X-ray crystal structure, Hirshfeld surface analysis and NMR study of novel copper(I) alkyl dithio- and perthio-carboxylates
Keywords: سطح هیرشفلد; Copper(I) dithiocarboxylate; Copper(I) perthiocarboxylate; Tetrameric cluster; X-ray diffraction; Hirshfeld surface; NMR study;
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: سطح هیرشفلد; Single crystal XRD; DFT studies; Hirshfeld surface; Supramolecular synthon; Ï stacking;
X-ray crystal structure, Hirshfeld surface analysis and DFT study of some cis-5âhydroxyâ2-phosphono-2,5-dihydrofurans
Keywords: سطح هیرشفلد; Heterocyclic phosphonates; 2-phosphono-2,5-dihydrofurans; Carbohydrate spacers; X-ray diffraction; Hirshfeld surface; DFT study; HOMO-LUMO;