Keywords: طیف جذب و انتشار; Hybrid chalcone; Heterocyclic rings; Third-order polarizability; Absorption and emission spectra;
مقالات ISI طیف جذب و انتشار (ترجمه نشده)
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Keywords: طیف جذب و انتشار; Sm3+; Phosphates; Absorption and emission spectra; Judd-Ofelt parameters; Cross-relaxation;
Keywords: طیف جذب و انتشار; X-shaped molecules; Mobility; Charge transfer integral; Site energy; Absorption and emission spectra;
Cyclometalated alkynylgold(III) complexes of 2-phenylpyridine and 2-(p-tolyl)-pyridine - Synthesis, photophysical and electroluminescence properties
Keywords: طیف جذب و انتشار; Alkynylgold(III) complexes; Cyclometalated ligands; Absorption and emission spectra; X-Ray analysis; Electroluminescence;
Investigation on the performance of PCM/TD-DFT functionals (standard pure, hybrid and long-range corrected) in simulating the absorption and emission spectra of 1-(2,5-dimethylfuran-3-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one dye in different solvents
Keywords: طیف جذب و انتشار; Chalcone; Absorption and emission spectra; TD-DFT calculations; PCM-LR;
The hows and whys of peculiar coordination of 4-amino-2,1,3-benzothiadiazole
Keywords: طیف جذب و انتشار; Coordination compound; Quantum chemical calculations; Crystal structure; Noncovalent interaction; Absorption and emission spectra;
Dicationic and monocationic benzobisthiazolium salts as potential NLO chromophores
Keywords: طیف جذب و انتشار; Benzobisthiazolium salts; Absorption and emission spectra; Hyperpolarizability; DFT calculations; Laser fluorescence imaging;
Interaction and bioconjugation of CdSe/ZnS core/shell quantum dots with maltose-binding protein
Keywords: طیف جذب و انتشار; CdSe/ZnS core/shell QDs; Maltose-binding protein (MBP); QM/MM; Absorption and emission spectra;
Absorption and emission spectroscopic characteristics of dipterex and its molecularly imprinted recognition: A TD-DFT investigation
Keywords: طیف جذب و انتشار; Dipterex; M06-2X; Molecularly imprinted recognition; Absorption and emission spectra; IR;
Vibrationally high-resolved electronic spectra of MCl2 (M = C, Si, Ge, Sn, Pb) and photoelectron spectra of MCl2−
Keywords: طیف جذب و انتشار; Absorption and emission spectra; Photoelectron spectra; Anharmonic; Franck–Condon; Herzberg–Teller
Spectral characteristic and crystal-field calculations for new Er(III) phosphor of the type [Er(SP)4]â (where SP=C6H5S(O)2NP(O)(OCH3)2â)
Keywords: طیف جذب و انتشار; Erbium ion; Structure; Spectroscopy; Absorption and emission spectra; Crystal-field analysis;
DFT/ and TD-DFT/PCM calculations of molecular structure, spectroscopic characterization, NLO and NBO analyses of 4-(4-chlorophenyl) and 4-[4-(dimethylamino) phenyl]-2-oxo-1,2,5,6-tetrahydrobenzo[h]quinoline-3-carbonitrile dyes
Keywords: طیف جذب و انتشار; Quinoline-3-carbonitrile dyes; DFT calculations; FT-IR and NMR spectra; Absorption and emission spectra; NBO and NLO analyses; Local and global descriptors;
Fluorescent probe 7-(prop-2-yn-1-yloxy)-2H-chromen-2-one: Experimental and DFT based approach to photophysical properties
Keywords: طیف جذب و انتشار; Pechmann condensation; Absorption and emission spectra; Quantum yield; TD-DFT
Novel tetranuclear Ni(II) Schiff base complex containing Ni4O4 cubane core: Synthesis, X-ray structure, spectra and magnetic properties
Keywords: طیف جذب و انتشار; Tetranuclear Ni(II) complex with Ni4O4 cubane core; X-ray structure; Absorption and emission spectra; Magnetic properties
Combining ab initio multiconfigurational and Free Energy Gradient methods to study the Ï-Ï* excited state structure and properties of uracil in water
Keywords: طیف جذب و انتشار; Solvent effects; Uracil in water; Free Energy Gradient; Absorption and emission spectra; Stokes shift;
A theoretical study on optical and charge transport properties of anthra-[1,2-b:4,3-bâ²:5,6-bâ³:8,7-bâ´]tetrathiophene molecules
Keywords: طیف جذب و انتشار; Absorption and emission spectra; Charge transfer integral; Reorganization energy; Site energy; Charge carrier mobility;
Synthesis and photophysical properties of two-photon chromophores containing 1H-benzimidazole residue
Keywords: طیف جذب و انتشار; Polymethine dyes; Synthesis; Absorption and emission spectra; Fluorescence lifetime; DFT calculations; Two-photon absorption
Optical properties of α-Nd3+: Na3Y(VO4)2 single crystals - Potential laser materials
Keywords: طیف جذب و انتشار; Laser materials; Single crystal; Nd3+; Vanadates; Infrared emission; Absorption and emission spectra;
Styryl dye possessing donor-π-acceptor structure – Synthesis, spectroscopic and computational studies
Keywords: طیف جذب و انتشار; Styryl dyes; Synthesis; Absorption and emission spectra; Fluorescence lifetime; Computational calculations; Two-photon absorption
Rhenium(I) carbonyl complex of 4,7-diphenyl-1,10-phenanthroline–Spectroscopic properties, X-Ray structure, theoretical studies of ground and excited electronic states
Keywords: طیف جذب و انتشار; Rhenium(I) carbonyls; Phen-like ligands; Absorption and emission spectra; DFT and TD-DFT calculations
Spectroscopic properties of new luminescent system based on vanadate(V) crystal doped with erbium ions
Keywords: طیف جذب و انتشار; Vanadates; Erbium; Up-conversion; Excited state; Absorption and emission spectra; Laser parameters;
Determination of first-order molecular hyperpolarizability of EAADCy and EDMAADCy using steady-state spectroscopic data and quantum-chemical calculations
Keywords: طیف جذب و انتشار; 31.70.âf; 33.50.Dq; 33.15.Kr; 33.20.ât; 31.15.Ct; Donor-acceptor system; Ethyl 5-(4-aminophenyl)-3-amino-2,4-dicyanobenzoate; Ethyl 5-(4-dimethylaminophenyl)-3-amino-2,4-dicyanobenzoate; Absorption and emission spectra; First-order hyperpolarizabili
Spectra and photophysics of new organic fluorophores: 2,3-Di(phenylethenyl)benzofuran derivatives
Keywords: طیف جذب و انتشار; Absorption and emission spectra; Intramolecular charge transfer states; Distyrylbenzofurans; Fluorophores; Molecular quantum mechanics; Photophysics; Fluorosolvatochromism;
Synthesis, spectroscopic characterization, X-ray structure and DFT calculations of [Re(CO)3L2Cl] (L = 1,2,4-triazolo-[1,5-a]pyrimidine)
Keywords: طیف جذب و انتشار; Rhenium(I) carbonyl complexes; 1,2,4-Triazolo-[1,5-a]pyrimidine; X-ray structure; Absorption and emission spectra; DFT and TDDFT calculations
The synthesis and spectroscopic investigation of dichromophoric hemicyanine dyes
Keywords: طیف جذب و انتشار; Dichromophoric hemicyanine dye; Synthesis; Absorption and emission spectra; The Stokes shift
Structures, spectra and photophysics of new organic fluorophores: 2,3- and 2,5-di(phenylethenyl)furan
Keywords: طیف جذب و انتشار; Absorption and emission spectra; Di(phenylethenyl)furans; Fluorophores; Molecular quantum mechanics; Photophysics; Rotational isomerism;
Energy transfer studies in binary dye solution mixtures: Acriflavine + Rhodamine 6G and Acriflavine + Rhodamine B
Keywords: طیف جذب و انتشار; Organic dyes; Absorption and emission spectra; Lifetimes; Energy transfer
Dichromophoric hemicyanine dyes. Synthesis and spectroscopic investigation
Keywords: طیف جذب و انتشار; Dichromophoric hemicyanine dye; Synthesis; Absorption and emission spectra; The Stokes shift
An anti-quinoid structure in dual fluorescence of fluozazene molecule and solvent effect of intramolecular charge transfer
Keywords: طیف جذب و انتشار; Dual fluorescence; Excited state; Intramolecular charge transfer; Nonequilibrium solvation; Absorption and emission spectra;
Experimental and theoretical studies of electronic energy states of methyl benzoate derivatives
Keywords: طیف جذب و انتشار; Methyl benzoate; Absorption and emission spectra; Semiempirical calculation; IPT; Intramolecular proton transfer; ICT; Intramolecular charge transfer; McH; Methylcyclohexane; THF; Tetrahydrofuran; EtOH; Ethanol; IP-DE; Isopentane-diethyl ether mixture
Luminescence, electronic absorption and vibrational IR and Raman studies of binary and ternary cerium ortho-, pyro- and meta-phosphates doped with Pr3+ ions
Keywords: طیف جذب و انتشار; Cerium ortho-, meta- and pyro-phosphates; IR and Raman spectra; Absorption and emission spectra
Theoretical studies of electronic structures, absorption and emission spectra in cyclometalated phenylpyridine Ir(III) complex and its derivatives using density functional theory
Keywords: طیف جذب و انتشار; Ir(III) complex; Ground-state structure; MO analysis; Energies control; Absorption and emission spectra