Keywords: تحلیل سطح هیرشفلد; X-ray powder diffraction; Crystal structure determination; Hirshfeld surface analysis; Molecular electrostatic potential; Electronic structure;
مقالات ISI تحلیل سطح هیرشفلد (ترجمه نشده)
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Keywords: تحلیل سطح هیرشفلد; Cyclopalladated compounds; Oximes; Crystal structure; Hirshfeld surface analysis;
Keywords: تحلیل سطح هیرشفلد; Single-crystal X-ray analysis; Cyclam compounds; Perchlorate anion; Hirshfeld surface analysis;
Keywords: تحلیل سطح هیرشفلد; Sulfonamide; SCXRD; Hirshfeld surface analysis; DFT calculations; Vibrational analysis;
Keywords: تحلیل سطح هیرشفلد; Halometalate; Halide complexes; Bismuth; Crystal structure; Hirshfeld surface analysis;
Keywords: تحلیل سطح هیرشفلد; Crystal structure; X-ray diffraction; Hirshfeld surface analysis; Fingerprint plots; Cgâ¯Cg interactions;
Keywords: تحلیل سطح هیرشفلد; Crystal structure; Hirshfeld surface analysis; Density functional theory;
Keywords: تحلیل سطح هیرشفلد; β-Aminoenone tautomer; Crystal structure; DFT calculations; Hydrogen bonding; Hirshfeld surface analysis;
Keywords: تحلیل سطح هیرشفلد; Oxime ether derivative; X-ray powder diffraction; Hirshfeld surface analysis; Molecular electrostatic potential; Electronic structure; YPZXETSODCNNGJ-UHFFFAOYSA-N; DTPTUHOBBLKUHU-UHFFFAOYSA-N; ZNBPFMCLRIERRJ-UHFFFAOYSA-N;
Keywords: تحلیل سطح هیرشفلد; 4-iodophenol; Diacceptor aza-compounds; Hydrogen bond-Halogen bond competition; X-ray structure analysis; Hirshfeld surface analysis;
Keywords: تحلیل سطح هیرشفلد; 8-Hydroxyquinoline; Alkoxymethyl substitution; Crystal structure; Hirshfeld surface analysis; DFT; QTAIM; Hydrogen bonding;
Keywords: تحلیل سطح هیرشفلد; Proton transfer complex; Structural investigation; Noncentrosymmetric; Hirshfeld surface analysis; FTIR; FT-Raman;
Understanding the conformational changes and molecular structure of furoyl thioureas upon substitution
Keywords: تحلیل سطح هیرشفلد; Thiourea derivatives; Molecular conformation; Single crystal structure determination; Vibrational spectroscopy; Hirshfeld surface analysis; Topological study;
Keywords: تحلیل سطح هیرشفلد; Crystal structure; FT-IR; Raman; UV–Visible; Hirshfeld surface analysis; DFT; Non-linear optical properties
Keywords: تحلیل سطح هیرشفلد; Acridine and 10-methylacridinium derivatives; Crystal structure; Intra- and intermolecular interactions; Hirshfeld surface analysis;
Keywords: تحلیل سطح هیرشفلد; Naphthalene diimides; Cocrystals; Optical properties; Ï-Ï interactions; Hirshfeld surface analysis; Crystal structures;
Keywords: تحلیل سطح هیرشفلد; Trifluoromethylphenyl porphyrin; Photophysical properties; Crystal structure analysis; Hirshfeld surface analysis; Antimicrobial studies
Keywords: تحلیل سطح هیرشفلد; DUJDRVWHPONYCK-UHFFFAOYSA-N; LCLVJNFWTMYFRL-UHFFFAOYSA-N; FZHKGXFTVVEHNP-UHFFFAOYSA-N; NBNUULGFIFJPQX-UHFFFAOYSA-NMeldrum’s acid derivative; Powder diffraction; Solid state DFT; Hirshfeld surface analysis; Electronic structure
Keywords: تحلیل سطح هیرشفلد; Supramolecular chemistry; Metalloporphyrins; Crystal structure analysis; Intermolecular interactions; Hirshfeld surface analysis
Keywords: تحلیل سطح هیرشفلد; Schiff bases; Tautomerism; Hirshfeld surface analysis; Density functional theory; Enol-imine; Keto-amine
Metal chelates constructed from CdHal2 (Hal = Cl, Br, I) and 1,2-diphenyl-1,2-bis((phenyl(pyridin-2-yl)methylene)hydrazono)ethane
Keywords: تحلیل سطح هیرشفلد; Metal chelate; Cadmium halide; Helical metal complex; X-ray crystallography; Hirshfeld surface analysis; Optical properties;
Co(II), Ni(II) and Cu(II) ternary complexes with sulfadiazine and dimethylformamide: Synthesis, spectroscopic characterization, crystallographic study and antibacterial activity
Keywords: تحلیل سطح هیرشفلد; Sulfadiazine; Sulfa-drugs metal complexes; Crystal structure; Hirshfeld surface analysis; Antibacterial activity;
Möbius-like metal chelates constructed from CdHal2 (Halâ¯=â¯Cl, Br, I) and benzilbis(pyridin-2-yl)methylidenehydrazone
Keywords: تحلیل سطح هیرشفلد; Quasi-aromatic; Möbius-like chelate; Cadmium halide; X-ray crystallography; Hirshfeld surface analysis;
Synthesis, crystal structure, infrared spectroscopy, thermal analysis and Hirshfeld surface analysis of a new hemihydrate of [Zn (H2O) 6][{(CH2)6N4}ZnCl3]2·0.5H2O
Keywords: تحلیل سطح هیرشفلد; Hybrid compound; Synthesis; X-ray diffraction; FTIR; Thermal analysis; Hirshfeld surface analysis;
Manganese trinuclear clusters based on schiff base: Synthesis, characterization, magnetic and electrochemiluminescence properties
Keywords: تحلیل سطح هیرشفلد; LPLKVMDLPHJPLZ-VHXFGHNESA-L; GZBBOSHIPIIELP-WRRAAFKSSA-L; PPAPHDOAHJZASB-WRRAAFKSSA-L; PHKMMXUDXAKTCG-WRRAAFKSSA-L; Trinuclear manganese cluster; Magnetic property; Hirshfeld surface analysis; Electrochemicaluminescence (ECL);
Molecular and crystal structure and the Hirshfeld surface analysis of 1-amino-1-deoxy-α-d-sorbopyranose and 1-amino-1-deoxy-α-d-psicopyranose (“d-sorbosamine” and “d-psicosamine”) derivatives
Keywords: تحلیل سطح هیرشفلد; Amadori compound; 1-amino-1-deoxy-d-sorbose; 1-amino-1-deoxy-d-psicose; Crystal structure; Hydrogen bonding; Hirshfeld surface analysis;
Unusual constructions of two Salamo-based copper(II) complexes
Keywords: تحلیل سطح هیرشفلد; Salamo-type ligand; Copper(II) complex; Synthesis; Crystal structure; Hirshfeld surface analysis;
Synthesis, structural characterization, DFT calculations and Hirshfeld surface analysis of (R)-2-((S)-2((S)-hydroxy(ferrocenyl)methyl)aziridin-1yl)butan-1-ol
Keywords: تحلیل سطح هیرشفلد; Crystal structure; Hirshfeld surface analysis; Two-dimensional ï¬ngerprint plots; DFT calculations; Non-covalent interactions;
An efficient synthesis of indoles via a CuMgAl-LDH-catalyzed cyclization of 2-alkynylsulfonanilides
Keywords: تحلیل سطح هیرشفلد; Indole; 2-Alkynylsulfonanilide; Cyclization reaction; CuMgAl-LDH catalyst; Hirshfeld surface analysis;
Crystal structure, Hirshfeld and third-order nonlinear optical properties of 3-(4-dimethylamino)phenyl)-1-(4-methoxyphenyl)prop-2-en-1-one: A potential material for optical limiting applications
Keywords: تحلیل سطح هیرشفلد; Chalcones; Crystal structure; Hirshfeld surface analysis; Z-scan; Optical limiting;
Molecular structure, spectroscopic properties, and Hirshfeld surface analysis of chlorobis(N-methyl-1,3-propanediamine)copper(II) tetrafluoroborate and azidobis(2,2-dimethyl-1,3-propanediamine)copper(II) azide
Keywords: تحلیل سطح هیرشفلد; Crystal structure; Spectroscopic properties; Copper(II) complexes; Synchrotron X-ray data; Square pyramidal geometry; Hirshfeld surface analysis;
Cocrystals of indole-3-acetic acid and indole-3-butyric acid: Synthesis, structural characterization and Hirshfeld surface analysis
Keywords: تحلیل سطح هیرشفلد; Indole-3-acetic acid; Indole-3-butyric acid; Cocrystals; Salt; Hirshfeld surface analysis;
p-halo N4-phenyl substituted thiosemicarbazones: Crystal structure, supramolecular architecture, characterization and bio-assay of their Co(III) and Ni(II) complexes
Keywords: تحلیل سطح هیرشفلد; Thiosemicarbazones; Co(III) and Ni(II) complexes; Crystal structure; Supramolecular assembly; Hirshfeld surface analysis; Bio-assay;
New spiro-oxindole constructed with pyrrolidine/thioxothiazolidin-4-one derivatives: Regioselective synthesis, X-ray crystal structures, Hirshfeld surface analysis, DFT, docking and antimicrobial studies
Keywords: تحلیل سطح هیرشفلد; Spirooxindole; Thioxothiazolidin-4-one; Hirshfeld surface analysis; DFT; Anti-microbial activity;
Cd(II) and Ni(II) complexes from aroyl hydrazones: Unravelling the intermolecular interactions and electronic, crystal structures through experimental and theoretical studies
Keywords: تحلیل سطح هیرشفلد; Crystal structures; Aroyl hydrazones; Hirshfeld surface analysis; ESP; DFT studies; Dipole moment;
Single crystal X-ray studies and Hirshfeld surface analysis of ethoxy phenyl substituted chalcone derivatives
Keywords: تحلیل سطح هیرشفلد; Chalcone; X-ray diffraction; Hirshfeld surface analysis; Molecular electrostatic potential analysis [MEP];
Self-assembled 3D heterometallic Zn(II)/K(I) metal-organic framework with the fluorite topology
Keywords: تحلیل سطح هیرشفلد; X-ray structure; Thiocarbazone; Fluorite topology; Metal-organic framework; Hirshfeld surface analysis;
Syntheses, crystal structures and Hirshfeld surface analysis of a coordination polymer of Cu(II) chlorido and a tris-octahedral complex of Ni(II) containing isonicotinoylhydrazone blockers
Keywords: تحلیل سطح هیرشفلد; Cu(II)/Ni(II) complexes; Isonicotinoylhydrazone blockers; Coordination polymers; Crystal structures; Hirshfeld surface analysis; Magnetism;
Crystal structure and Hirshfeld surface analysis of bis (2-(2-(1H-benzo[d]imidazol-2-yl)hydrazono)propan-1-ol) nickel(II) chloride
Keywords: تحلیل سطح هیرشفلد; Nickel complex; Crystal structure; Hydrazone lignad; Hirshfeld surface analysis;
(E)-Nâ²-(4-nitrobenzylidene)-2-(1-(4-methoxyphenyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)acetohydrazide: Synthesis, crystal structure, DFT and Hirshfeld surface analysis
Keywords: تحلیل سطح هیرشفلد; Crystal structure; Schiff base; X-ray diffraction; Interactions; DFT calculations; Hirshfeld surface analysis; Fingerprint plots;
Molecular structure, Hirshfeld surface analysis, spectroscopic (FT-IR, Laser-Raman, UV-vis. and NMR), HOMO-LUMO and NBO investigations on N-(12-amino-9,10-dihydro-9,10-ethanoanthracen-11-yl)-4-methylbenzenesulfonamide
Keywords: تحلیل سطح هیرشفلد; N-(12-amino-9,10-dihydro-9,10-ethanoanthracen-11-yl)-4-methylbenzenesulfonamide; Molecular structure; Hirshfeld surface analysis; Vibrational spectroscopy; NMR chemical shifts; UV-Vis. spectroscopy;
Crystal structures and Hirshfeld surface analyses of the hemi-hydrate and hemi-methanolate of 3α-hydroxy-16α-bromoandrostan-17-one, 3: Differences in supramolecular arrangements
Keywords: تحلیل سطح هیرشفلد; Hydrogen bonds; Crystal structures; Hirshfeld surface analysis; Hydrazones; Androsterones: Solvates;
1D helical cadmium coordination polymers containing hydrazide ligand: The role of solvent and molar ratio
Keywords: تحلیل سطح هیرشفلد; Helical coordination polymer; Cadmium; Nicotinohydrazide; Hirshfeld surface analysis; Crystal structure;
Synthesis, X-ray structural, Hirshfeld surface analysis, FTIR, MEP and NBO analysis using DFT study of a 4-chlorobenzylammonium nitrate (C7ClH9N)+(NO3)-
Keywords: تحلیل سطح هیرشفلد; Crystal structure; Hirshfeld surface analysis; DFT; FT-IR; MEP; NBO;
Synthesis, single crystal X-ray, spectroscopic (FT-IR, UV-vis, fluorescence, 1H &13C NMR), computational (DFT/B3LYP) studies of some imidazole based picrates
Keywords: تحلیل سطح هیرشفلد; Picrate; Single crystal XRD; Hirshfeld surface analysis; TGA; DFT;
Synthesis, X-ray crystal structure, vibrational spectroscopy, DFT calculations, electronic properties and Hirshfeld analysis of (E) -4-Bromo-N'-(2,4-dihydroxy-benzylidene) benzohydrazide
Keywords: تحلیل سطح هیرشفلد; FT-Raman; FT- IR; 4BDBH; XRD; DFT; Hirshfeld surface analysis;
3D supramolecular networks based on hydroxyl-rich Schiff-base copper(II) complexes
Keywords: تحلیل سطح هیرشفلد; Copper(II) complexes; Cubane structures; Schiff base ligands; Supramolecular networks; Hirshfeld surface analysis;
Mononuclear late first row transition metal complexes of ONO donor hydrazone ligand: Synthesis, characterization, crystallographic insight, in vivo and in vitro anti-inflammatory activity
Keywords: تحلیل سطح هیرشفلد; E)-2-amino-N'-(1-(2-hydroxy-6-methyl-4-oxo-4H-pyran-3-yl)ethylidene) benzohydrazide; Transition metal complexes; Single crystal X-ray diffraction study; Mono-deprotonated and doubly deprotonated; Hirshfeld surface analysis; Anti-inflammatory activity;
Structural variations in zinc(II) complexes with N,N-di(4-fluorobenzyl)dithiocarbamate and imines: New precursor for zinc sulfide nanoparticles
Keywords: تحلیل سطح هیرشفلد; Zinc(II) bis(dithiocarbamate); Imine adducts; Hirshfeld surface analysis; Zinc sulfide; Photodegradation of rhodamine-B;
Physico-chemical characterization, Hirshfeld surface analysis and opto-electric properties of a new hybrid material: Tris (2-amino-5-chloropyridinium) hexachlorobismuthate(III)
Keywords: تحلیل سطح هیرشفلد; Hybrid material; Hexachlorobismuthate; X-ray diffraction; Hirshfeld surface analysis; Conductivity;