Keywords: طیف جذب الکترونیک; Glycols; Vibrational spectra; Electronic absorption spectra; Rotational and distortional constants; Water solvent;
مقالات ISI طیف جذب الکترونیک (ترجمه نشده)
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Keywords: طیف جذب الکترونیک; Anatase; Nanoparticles; DFT; Quantum size effect; Electronic absorption spectra; Charge carriers;
Synthesis and physicochemical studies of some new quinolinoxazine pentamethine cyanine dyes
Keywords: طیف جذب الکترونیک; Quinolinoxazine; Synthesis; Electronic absorption spectra; Fluorescence emission; Solvatochromic behaviour;
Keywords: طیف جذب الکترونیک; Alloxan monohydrate; TD-DFT; One- and two-dimensional 1H NMR; Electronic absorption spectra; UV-photoabsorption cross-section; Vibration spectrum;
Keywords: طیف جذب الکترونیک; Benzoic acid derivatives; Organosilicon compounds; Computational chemistry; Vibrational spectra; Electronic absorption spectra; HOMO-LUMO
Keywords: طیف جذب الکترونیک; Bulk heterojunction; Electronic absorption spectra; Fluorescence emission data; Photovoltaic performance; Pyropheophorbide; Substitution effect
Keywords: طیف جذب الکترونیک; Molecule design; Density functional theory; Orbital energy level; Electronic absorption spectra; Dye-sensitized solar cells
Keywords: طیف جذب الکترونیک; Molecule design; Density functional theory; Orbital energy level; Electronic absorption spectra; Dye-sensitized solar cells;
Keywords: طیف جذب الکترونیک; Azo dye; Electronic absorption spectra; Fluorescence spectra; Solvent effect; Push-pull molecule; Charge transfer band;
Synthesis, spatial and electronic structure of 1-(+)-neomenthyl-1,2-diphosphole and 1-(+)-neomenthyl-1,2,4-triphosphole tungstenpentacarbonyl complexes
Keywords: طیف جذب الکترونیک; Phosphorus heterocycle; Heterophosphole; Tungsten carbonyl complex; P-chiral; Electronic absorption spectra; Raman spectra;
Influence of structural and solvation factors on the spectral-fluorescent properties of alkyl-substituted BODIPYs in solutions
Keywords: طیف جذب الکترونیک; Dipyrromethene; BODIPY; Electronic absorption spectra; Fluorescence quantum yield; Solvatofluorochromic parameters;
Mix-substituted phthalocyanines of a “push-pull”-type and their metal complexes as prospective nanostructured materials for optoelectronics
Keywords: طیف جذب الکترونیک; “Push-pull” phthalocyanines; Liquid crystals; Electronic absorption spectra; Fluorescence; Photoelectric properties; Langmuir-Schaefer films; DFT calculations; Photovoltaics;
Investigation of spectral properties and synthesis characterization of (Z)-4-(2-(4-methoxy-2,3-dimethylbenzylidene)hydrazinyl)benzonitrile compound
Keywords: طیف جذب الکترونیک; Electronic absorption spectra; Schiff base; Solvatochromism; Spectral and thermal properties;
Presence of Ïâ¦Ï and CHâ¦Ï interactions in the new Schiff base 2-{(E)-[(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)imino]methyl}phenol: Experimental and DFT computational studies
Keywords: طیف جذب الکترونیک; Schiff bases; Crystal structure; FT-IR and NMR spectroscopy; Electronic absorption spectra; DFT calculations;
DFT and PCM-TD-DFT investigation of the electronic structures and spectra of 5-(3-phenyl-2-propenylidene)-2-thioxo-4-thiazolidinone derivatives
Keywords: طیف جذب الکترونیک; 2-Thioxo-4-thiazolidinones; Electronic absorption spectra; Substituent effect; PCM-TD-DFT; Solvent effect; Intramolecular charge transfer;
Molecular structure and vibrational assignment of 1-[N-(2-pyridyl) aminomethylidene}-2(1H)-Naphtalenone by density functional theory (DFT) and ab initio Hartree–Fock (HF) calculations
Keywords: طیف جذب الکترونیک; Schiff base; IR; Electronic absorption spectra; DFT; HF
Substituent influence on the spectra of some benzo[f]quinoline derivatives
Keywords: طیف جذب الکترونیک; Benzo[f]quinoline derivatives; Optimized geometry; Dipole moment; Frontier orbitals; Electronic absorption spectra;
Analysis and deconvolution of dimethylnaphthalene isomers using gas chromatography vacuum ultraviolet spectroscopy and theoretical computations
Keywords: طیف جذب الکترونیک; Polyaromatic hydrocarbons; Coelution; Covariance analysis; Diesel fuel; Jet fuel; Electronic absorption spectra; Density functional theory;
Allyl vs ethyl substituted thioquinoline complexes with diiodine: Halogen bonds and iodocyclization
Keywords: طیف جذب الکترونیک; Electronic absorption spectra; Iodine halogen bonds; Alkenylthioquinolines
Azo-substituted Schiff base complex of Pt(II): Synthesis, characterization, DFT and TD-DFT study
Keywords: طیف جذب الکترونیک; Time dependent density functional theory; Electronic absorption spectra; Schiff base complexes of Pt(II)
Non-rigid molecule of copper(II) diiminate Cu[CF3C(NH)C(F)C(NH)CF3]2, its conformational polymorphism in crystal and structure in solutions (Raman, UV–vis and quantum chemistry study)
Keywords: طیف جذب الکترونیک; Copper(II); Diiminates; Non-rigid molecules; Conformational polymorphism; Raman spectra; Electronic absorption spectra; X-ray crystal structure
The new Schiff base 4-[(4-Hydroxy-3-fluoro-5-methoxy-benzylidene)amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-pyrazol-3-one: Experimental, DFT calculational studies and in vitro antimicrobial activity
Keywords: طیف جذب الکترونیک; Schiff base; Crystal structure; FT-IR and NMR spectroscopy; Electronic absorption spectra; DFT calculations; Antibacterial and antifungal activity
Synthesis, spectroscopy, X-ray crystallography, DFT calculations, DNA binding and molecular docking of a propargyl arms containing Schiff base
Keywords: طیف جذب الکترونیک; Single crystal analysis; Electronic absorption spectra; DFT calculation; DNA binding; Molecular docking
Synthesis of chlorophyll-f analogs possessing the 2-formyl group by modifying chlorophyll-a
Keywords: طیف جذب الکترونیک; Electronic absorption spectra; Oxidation; Photosynthesis; Substitution effect;
Intermolecular interactions in binary and ternary solutions of two cycloimmonium-carboethoxy-anilido-methylids
Keywords: طیف جذب الکترونیک; Pyridinium-carboethoxy-anilido-methylid; Iso-quinolinium carbethoxy-anilido-methylid; Intermolecular interactions; Electronic absorption spectra;
Spectroelectrochemical investigations of pyrimidine-2-thionato-bridged binuclear platinum(III) complexes
Keywords: طیف جذب الکترونیک; Diplatinum coordination compounds; Electronic absorption spectra; Spectroelectrochemistry; Molecular orbital energy level diagram; DFT calculations
About intermolecular interactions in binary and ternary solutions of some azo-benzene derivatives
Keywords: طیف جذب الکترونیک; Azo-benzene derivatives; Electronic absorption spectra; Excited state dipole moment and polarizability; Interaction energy in molecular pairs
Synthesis and spectral properties of new fluorescent alkoxy-substituted thieno[3,2-b]indole derivatives
Keywords: طیف جذب الکترونیک; Chemical synthesis; Substituted TI derivatives; Electronic absorption spectra; Fluorescence spectra; Photophysical properties
Photophysical behavior of some aromatic poly(1,3,4-oxadiazole-ether)s derivatives
Keywords: طیف جذب الکترونیک; Solvent effect; Electronic absorption spectra; Emission spectra; Binary mixtures; Preferential solvation
ESIPT inspired dual fluorescent probe (Z)-3-((4-(4-aminobenzyl) phenyl) amino)-1,3-diphenylprop-2-en-1-one: Experimental and DFT based approach to photophysical properties
Keywords: طیف جذب الکترونیک; Single crystal analysis; Electronic absorption spectra; Fluorescence spectra; ESIPT; TD-DFT
Pentamethylcyclopentadienyl rhodium complexes
Keywords: طیف جذب الکترونیک; Vinyl bipyridine; Thallium formate reduction; Crystallographic characterization; Electronic absorption spectra; Metal-to-ligand charge transfer;
Investigations of preferential solvation on some poly(siloxane-azomethine)s containing dihydroxyanthraquinone units
Keywords: طیف جذب الکترونیک; Poly(siloxane-azomethine)s; Preferential solvation; Electronic absorption spectra; Emission spectra; Solvent effect; Binary mixtures;
Combined experimental and DFT computational studies on (E)-1-(5-nitrothiophen-2-yl)-N-[4-(trifluoromethyl)phenyl]methanimine
Keywords: طیف جذب الکترونیک; Schiff base; Density functional theory; Electronic absorption spectra; Non-linear optics; MEP;
Fluorescence emission characterization of all-trans and 15-cis-β-carotene in imidazolium based room temperature ionic liquids
Keywords: طیف جذب الکترونیک; All-trans-β-carotene; 15-cis-β-carotene; Room temperature ionic liquid; Electronic absorption spectra; Fluorescence emission spectra; Ionic liquid polarizability
Monosubstituted acetonitriles: Structure, spectroscopic characterization and hyperpolarizabilities
Keywords: طیف جذب الکترونیک; Acetonitrile; Substituent effect; NLO properties; Electronic absorption spectra
Synthesis of oxo-, thioxo- and methylene-substituted bacteriochlorins by modifying chlorophyll-a and their electronic absorption in visible and near-infrared regions
Keywords: طیف جذب الکترونیک; Chlorophyll derivatives; Electronic absorption spectra; Regioisomeric control; Substitution effect; Thiocarbonyl group
DFT and MP2 calculations on new series of hydroxythioxanthones
Keywords: طیف جذب الکترونیک; Hydroxythioxanthone; Vibrational analysis; NMR spectra; NBO; Electronic absorption spectra; DFT;
Electronic structure of some adenosine receptor antagonists. III. Quantitative investigation of the electronic absorption spectra of alkyl xanthines
Keywords: طیف جذب الکترونیک; Adenosine receptor antagonists; Alkyl xanthines; Electronic absorption spectra; MO calculations; ZINDO;
Spectroscopic study of interaction of styrylcyanine dye Sbt and its derivatives with bovine serum albumin
Keywords: طیف جذب الکترونیک; Styrylcyanine dyes; Fluorescence; Electronic absorption spectra; Bovine serum albumin; Binding constant;
Experimental and theoretical investigation of the molecular and electronic structure of 3-ethoxy-4-isopropylaminocyclobut-3-ene-1,2-dione
Keywords: طیف جذب الکترونیک; Squarmonoesteramides; Crystal structure; FT-IR and NMR spectroscopy; Electronic absorption spectra; DFT calculations; 3-Cyclobuthene
Interaction energy in pairs of phthalazinium dibenzoylmethylid (PDBM)-protic solvent molecules estimated in the limits of the cell ternary solution model, by spectral means
Keywords: طیف جذب الکترونیک; Phthalazinium-dibenzoylmethylid (PDBM); Binary solvent; Electronic absorption spectra; Formation energy of hydrogen bond complex;
Synthesis, crystal structure, DFT and spectroscopic studies of mononuclear chromium(III) complex with bidentate ligand
Keywords: طیف جذب الکترونیک; Synthesis; Chromium(III) complex; X-ray crystal structure; Density functional theory; Electronic absorption spectra; ESR spectra; Cyclic voltammetry
Substituent effects on zinc phthalocyanine derivatives: A theoretical calculation and screening of sensitizer candidates for dye-sensitized solar cells
Keywords: طیف جذب الکترونیک; Dye-sensitized solar cells; Zinc phthalocyanine; DFT calculations; Molecule design; Molecular orbital energy level; Electronic absorption spectra
Theoretical design and screening of panchromatic phthalocyanine sensitizers derived from TT1 for dye-sensitized solar cells
Keywords: طیف جذب الکترونیک; Dye-sensitized solar cells; DFT calculations; Molecule design; Orbital energy level; Electronic absorption spectra; Phthalocyanine
Telechelic or side-functionalized diorganosiloxanes with ferrocenylimine groups
Keywords: طیف جذب الکترونیک; Siloxane; Ferrocene; Imine; Mossbauer spectrum; Cyclic voltammetry; Mixed valence; Electronic absorption spectra;
Quantum-chemical, spectroscopic and X-ray diffraction studies of (E)-2-[(2-Bromophenyl)iminomethyl]-4-trifluoromethoxyphenol
Keywords: طیف جذب الکترونیک; Density functional theory; Electronic absorption spectra; Hartree–Fock; Molecular electrostatic potential; Schiff base
Chemical speciation and equilibria of some nucleic acid compounds and their iron(III) complexes
Keywords: طیف جذب الکترونیک; Effect of pH; Electronic absorption spectra; Speciation of iron(III); Pyrimidines and purines
Crystal structure and DNA binding studies of a cobalt(II) complex containing mixed-ligands of 1, 10-phenathroline and glycollic acid
Keywords: طیف جذب الکترونیک; Cobalt complex; DNA binding; Electronic absorption spectra; Electrochemistry
Solvatochromic effects in the UV/vis absorption spectra of some pyridazinium ylides
Keywords: طیف جذب الکترونیک; Electronic absorption spectra; Solvent effects; Pyridazinium ylides; Solvatochromism
Experimental (13C NMR, 1H NMR, FT-IR, single-crystal X-ray diffraction) and DFT studies on 3,4-bis(isoproylamino)cyclobut-3-ene-1,2-dione
Keywords: طیف جذب الکترونیک; Squarbisamides; Crystal structure; FT-IR and NMR spectroscopy; Electronic absorption spectra; DFT calculations; 3-Cyclobuthene