Keywords: External electric fields; Coronene; NBO charge; NLO; Aromaticity;
مقالات ISI (ترجمه نشده)
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Keywords: Phthalocyanine; Photophysical properties; NLO; Conjugated structure; Substituents;
Keywords: Quinoline phosphate; TD-DFT; HOMO-LUMO gap; NLO; Cyclic voltammetry; DSC;
Keywords: Pyridone; Solvatochromism; ICT; HOMO-LUMO analysis; DFT; NLO;
Keywords: Corneal development; Corneal evolution; Second harmonic generation imaging; 3D; Three dimensional; FFT; Fast Fourier Transform; HRMac; High Resolution Macroscopy; NLO; Non-linear optical; SHG; Second Harmonic generation;
Keywords: Glycine; XRD; NLO; Dielectric; Photoconductivity;
Keywords: MO; Magneto-optical; MF; Magnetic field; NPs; Nanoparticles; NLO; Nonlinear optical; MWCNTs; Multiwallcarbon nanotubes; OKE; Optical Kerr effect; TEM; Transmission Electron Microscopy; TWM; Two-wave mixing; E+; Right-hand circular component of electric fi
Keywords: AC; alternating current or asymptotically correct; ADF; Amsterdam density functional; AM1; Austin model 1 semi-empirical method; au; atomic units; BBO; β-barium borate; CC; coupled-cluster; CHF; coupled Hartree-Fock; CI; configuration interaction; CNDO
Keywords: 2PA; two-photon absorption; 3PA; three-photon absorption; ESA; excited-state absorption; FCA; free carrier absorption; G; graphene; GO; graphene oxide; ISC; intersystem crossing; MPA; multiphoton absorption; MPc; metal phthalocyanine; NLA; nonlinear absor
Keywords: Guanidine; Vibrational spectroscopy; Theoretical calculations; NLO;
Keywords: DFT; ALIE; RDF; BDE; NLO; Molecular docking;
Keywords: Imipramine hydrochloride ([H-IMI]Cl); NLO; UV-Vis; PED; Vibrational analysis;
Keywords: Hydrocortisone acetate; Hydrocortisone; Prednisolone; Prodrugs; NLO; Reactivity descriptors;
Keywords: Biodegradable polymer (chitosan); Montmorillonite; Paraphenylenediamine; Orthophenylenediamine; NLO; Optical limiting;
Keywords: Organic; NLO; Thermodynamic; Z-scan; Optical limiting;
Quantum chemical studies on structural, vibrational, nonlinear optical properties and chemical reactivity of indigo carmine dye
Keywords: Indigo carmine isomers; DFT/B3LYP; FT-IR; HOMO-LUMO energies; DOS; NLO; MEP;
Keywords: FT-IR; NLO; DFT; TG; DTA;
Keywords: DFT; FTIR; FT-Raman; NBO; NLO; Molecular docking;
Keywords: Triglycine sulphate; Silver nanoparticles; NLO; Combustion method; Surface enhanced raman scattering; Density functional theory;
Keywords: Pyrrole-isoxazolines; 1H NMR; UV-Visible; FT-IR; NLO;
Keywords: Coumarin-indole conjugate; Push-pull dye; Selective CNâ detection; NLO; DFT; TD-DFT; Biological activity;
Keywords: Push–pull chromophore; Hyperpolarizability; Synthesis; NLO; Inverted solvatochromic behavior; DFT calculations
Keywords: Solution growth; Single crystal; NLO; X-ray diffraction; Spectral study; Impedance spectroscopy
Keywords: Organic–inorganic; NLO; UV–visible and photoluminescence
Keywords: NLO; Chromophore; Donor; Heteroatom; Electro-optical
Keywords: Single X-ray diffraction; UV–vis-NIR spectrophotometer; NLO; SHG; Dielectric constant and dielectric loss
Keywords: NLO; Organotin; Schiff base; X-ray
Keywords: Molecular glasses; NLO; Holographic gratings; Azobenzene; Amorphous dyes
Keywords: 2-Methyl 3,5-Dinitro benzoic acid; Vibrational analysis; NMR; NBO analysis; NLO; HOMO–LUMO
Keywords: 4-Aminomorpholine; 4-Aminomorpholinium; NLO; Nonlinear optical properties; Second harmonic generation; Nonlinear electrical properties; Piezoelectric properties; Piezoelectricity;
Keywords: CHMTM; Single crystal XRD; Hirshfeld surface; NLO; 2D-Fingerprint plot;
Keywords: 0D; zero dimensional; 1D; one dimensional; 2D; two dimensional; 3D; three dimensional; A; acceptor; Ag NPs; Ag nanoparticles; ACN; acetonitrile; APTES; 3-aminopropyl- triethoxysilane; B-AGNRs; B terminated armchair GNRs; Be-AGNRs; Be terminated armchair G
Keywords: 2D; two-dimensional; 3D; three-dimensional; [ACnIm][N(CN)2]; 1-allyl-3-alkylimidazolium dicyanamide; β; hyperpolarizability; BBI; benzobis(imidazolium); [BBIm][Br]; 1,3-dibutylimidazolium bromide; [BH4]; tetrahydroborate; [BH2(CN)2]; dicyanoborate; [BH3C
Keywords: FTIR; Dielectric; Photoconductivity; Single crystal XRD; NLO;
Keywords: Double–donor chromophores; Electro-optic; Isolation group; Poled film; NLO; DFT
Keywords: Pregnane; X-ray crystallography; Conformation; Vibrational assignment; MEP; NLO;
Keywords: Dithienylcyclopentene; Transition metals; Photocyclisation; Electrochromism; NLO
Keywords: FT-IR and FT-Raman spectra; DFT; HOMO-LUMO; NLO; Evans hole; MESP mapping;
Keywords: QPPO; NLO; TED; NBO; HOMO-LUMO; Vibrational spectra;
Keywords: AIEE; aggregation-induced emission enhancement; AIQ; aggregation-induced quenching; MCF-7; breast cancer cell; CLSM; confocal laser scanning microscopy; CPE; conjugated polyelectrolyte; NIH-3T3; fibroblast normal cell; FRET; fluorescence resonance energy
Keywords: NLO; TEMPO; GFP; DFT; HOMO-LUMO energy gap; Chemical hardness;
Keywords: Crystal growth; NLO; Optical transmission; Single crystal XRD; Mechanical properties
Keywords: Single crystal; NLO; Single crystal XRD; Optical transmission
Keywords: UV; IR; NMR; NLO; HOMO-LUMO;
Keywords: Crystal growth; UV–Vis spectra; NLO; X-ray diffraction; FTIR; Thermal analyses
Keywords: Cyclohexenones; Fluorescence; Polarizability; Hyperpolarizability; TD-DFT; NLO
Keywords: 2,5-Dimethylanilinium chloride monohydrate; NLO; NBO analysis; Vibrational analysis; HOMO–LUMO
Keywords: Intercalation; Exfoliation; Smectite clay; Layered double hydroxide; Poly(oxypropylene) amine; Graphene; AEC; anionic exchange capacity; AFM; atomic force microscope; AMP; adenosine 5â²-monophosphate; ATRP; atomic transfer radical polymerization; BMIMCl;
Keywords: DFT/B3LYP/6-31G(d,p); NLO; NBO; XRD; MEP;
Keywords: Asymmetrical azine; p-isobutyl acetophenone; Charge density; Atoms in molecules; Hyperpolarizability; NLO;