Keywords: لحظه ناهموار; Conformational analysis; Theoretical calculations; Solvent effects; Dipole moment; Liquid crystals
مقالات ISI لحظه ناهموار (ترجمه نشده)
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Keywords: لحظه ناهموار; Organic liquids; Pure fluids; Non-linear regression; Dipole moment; Statistical effect; Experimental dataLiquides organiques; Fluides purs; Régression non-linéaire; Moment dipolaire; Effet statistique; Données expérimentales
Keywords: لحظه ناهموار; Dipole moment; Diazo Sudan dye; Solvent–solute interaction; Solvent polarity; Tautomeric resonance structure; Intramolecular charge-transfer
Keywords: لحظه ناهموار; Excited state charge transfer (CT); Hydrogen bonding strengthening; Dipole moment; Electronic and vibrational spectra shifts;
Keywords: لحظه ناهموار; Electrosorption valency; Formal partial charge number; Dipole moment; Work function
Keywords: لحظه ناهموار; Homogenization problem; Anisotropy; Dipole moment; Contribution tensor; Effective conductivity
Keywords: لحظه ناهموار; Dielectric relaxation strength; Dielectric constant; Dipole moment; Polymer solution; Polar solvent; Poly(vinyl pyrrolidone);
Keywords: لحظه ناهموار; Solvatochromic shift; Dipole moment; Absorption; Fluorescence; 6-Methoxyquinoline;
Keywords: لحظه ناهموار; Solvatochromic shift; Dipole moment; Absorption; Fluorescence; Quinidine and quinidine dication;
Keywords: لحظه ناهموار; Quadrupole moment; Water molecules; Permittivity; Orientational ordering; Dipole moment; Electric double layer;
Keywords: لحظه ناهموار; Porphyrin; Solvent polarity; Stokes' shift; Lippert-Mataga equation; Dipole moment;
Keywords: لحظه ناهموار; Polymeric azo sulfonamide substance; Solvent-solute interaction; Solvent polarity scale; Linear solvation energy relationship; Dipole moment;
Keywords: لحظه ناهموار; First principle calculations; Conformational search; Global minimum; IR spectrum; Rotational constant; Dipole moment;
Keywords: لحظه ناهموار; Dipole moment; Diazine; Solvatochromic shift method; Stokes shift; Ab-initio calculation; Gaussian 03;
Keywords: لحظه ناهموار; Para-nitroaniline; Density Functional Theory; Dipole moment; Excited states; Excitation energies; Delta-SCF;
Keywords: لحظه ناهموار; Aniline; Conformer; Transition state; Potential energy surface (PES); Dipole moment
Keywords: لحظه ناهموار; Conjugated polyelectrolytes; pH-neutral hole transporting layer; Heterocyclic ring; Dipole moment; Surface potential difference; Bulk heterojunction polymer solar cell
Synthesis DFT/TD-DFT theoretical studies and experimental solvatochromic shift methods on determination of ground and excited state dipole moments of 3-(2-hydroxybenzoyl) coumarins
Keywords: لحظه ناهموار; 3-(2-Hydroxybenzoyl)coumarins; Dipole moment; Solvatochromic method; Theoretical calculation;
Photophysical and computational studies on optoelectronically active thiophene substituted 1,3,4-oxadiazole derivatives
Keywords: لحظه ناهموار; Dipole moment; Solvatochromic method; Chemical hardness; DFT; HOMO-LUMO;
Tuning of optical properties of p-phenyl ethenyl-E-furans: A Solvatochromism and Density functional theory
Keywords: لحظه ناهموار; Absorption; Fluorescence; Dipole moment; Transition dipole moment; Oscillator strength; Polarizability; Hyperpolarizability; Density functional theory;
Pure rotation spectrum of CF4 in the v3Â =Â 1 state using THz synchrotron radiation
Keywords: لحظه ناهموار; Carbon tetrafluoride; Synchrotron radiation; Pure rotation; Non-polar molecule; Dipole moment;
ATR-FTIR study of the isosbestic point in water solution of electrolytes
Keywords: لحظه ناهموار; Water; Vibrational spectroscopy; Electrolytes; Isosbestic point; Dipole moment;
Development and evaluation of MTLSER and QSAR models for predicting polyethylene-water partition coefficients
Keywords: لحظه ناهموار; Hydrophobic organic compounds (HOCs); Low density polyethylene-water partition coefficient (KPE-w); Modified theoretical linear solvation energy relationship (MTLSER); Quantitative structure activity relationship (QSAR); Applicability domain (AD); HOCs; h
Cd(II) and Ni(II) complexes from aroyl hydrazones: Unravelling the intermolecular interactions and electronic, crystal structures through experimental and theoretical studies
Keywords: لحظه ناهموار; Crystal structures; Aroyl hydrazones; Hirshfeld surface analysis; ESP; DFT studies; Dipole moment;
Novel amidine derivatives of benzanthrone: Effect of bromine atom on the spectral parameters
Keywords: لحظه ناهموار; Benzanthrone dyes; Fluorescence; Solvatofluochromism; Dipole moment; Crystal structure;
One pot synthesis, physicochemical and photophysical investigation of biologically active pyridine-3-carboxylate (ECPC) as probe to determine CMC of surfactants in organized media
Keywords: لحظه ناهموار; Pyridine-3-carboxylate; Dipole moment; Stokes shift; CMC; Anti-bacterial; Tetracycline;
Photophysical behavior of some thymol based schiff bases using absorption and fluorescence spectroscopy
Keywords: لحظه ناهموار; Solvent effect; Dipole moment; Solvatochromism; Excited state; Stokes-shift; Molecular Orbitals; Molecular electrostatic potential;
Synthesis, photophysical studies, and application of novel 2,7-bis((1-butyl-1H-1,2,3-triazol-4-yl)methoxy)naphthalene as a highly selective, reversible fluorescence chemosensor for detection Fe3+ ions
Keywords: لحظه ناهموار; Fluorescence; Sensor; 1,2,3-Triazole; Dipole moment; NLO material; DFT;
Spectroscopic and structural investigation for the ground and excited states of CaNa+ molecular ion
Keywords: لحظه ناهموار; Ab initio approach; Semi empirical pseudo-potential; PEC curves; Spectroscopic constants; Dipole moment; Vibrational energy;
Relativistic dipole interaction and the topological nature for induced HMW and AC phases
Keywords: لحظه ناهموار; Quantum phases; Topological phases; Electromagnetism; Dipole moment; Induced dipole;
Rotational spectrum and structural analysis of CHâ¯F interactions in the vinyl fluorideâ¯1,1-difluoroethylene dimer
Keywords: لحظه ناهموار; van der Waals complex; Fluoroethene; 1,1-Difluoroethene; Dipole moment; Stark effect; Weak hydrogen bond;
Comments on “Photophysics of rhodamine B in the nanosized water droplets: A concentration dependence study”
Keywords: لحظه ناهموار; Fluorescence; Nano-droplets; Dipole moment;
CH3D photomixing spectroscopy up to 2.5 THz: New set of rotational and dipole parameters, first THz self-broadening measurements
Keywords: لحظه ناهموار; THz photomixing; Frequency-comb; Deuterated methane; Line positions; Dipole moment; Self-broadening coefficients;
Modified solvatochromic equations for better estimation of ground and excited state dipole moments of p-aminobenzoicacid (PABA): Accounting for real shape over hypothetical spherical solvent shell
Keywords: لحظه ناهموار; Solvatochromic equation; Onsager radius; Volume; Dipole moment; DFT;
Photo-physical and interactional behavior of two members of group B vitamins in different solvent media
Keywords: لحظه ناهموار; Vitamin B12; Vitamin B6; Solvent polarity; Linear solvation energy relationship; Dipole moment;
Solvent effects on the absorption and emission spectra of novel (E)-4-((4-(heptyloxy)phenyl)diazenyl)benzyl (((9H-fluoren-9-yl)methoxy)carbonyl)-d-alaninate (Fmoc-al-az): Determination of dipole moment by experimental and theoretical study
Keywords: لحظه ناهموار; Azobenzene dye; Dipole moment; Solvatochromic shift; Steady-state spectroscopy; Density function theory;
Asymmetric Stark shift in an impurity doped dome-shaped quantum dot with wetting layer
Keywords: لحظه ناهموار; Quantum dot; Wetting layer; Stark shift; Donor impurity; Electric field; Polarizability; Dipole moment;
Photophysical investigation of (D-Ï-A) DMHP dye: Dipole moments, photochemical quantum yield and fluorescence quantum yield, by solvatochromic shift methods and DFT studies
Keywords: لحظه ناهموار; DMHP; Solvatochromic; Dipole moment; Stokes shift; Photochemical quantum yield; CMC;
Binding and selectivity of phenazino-18-crown-6-ether with alkali, alkaline earth and toxic metal species: A DFT study
Keywords: لحظه ناهموار; Phenazino-18-crown-6-ether; Electron affinity; Perturbation energy; Macrocyclic ligand; Dipole moment;
The Enhancement of PVDF Pyroelectricity (Pyroelectric Coefficient and Dipole Moment) by Inclusions
Keywords: لحظه ناهموار; Pyroelectricity; pyroelectrical coefficient; dipole moment; Debye; PVDF; displacement; Maxwell model; Clausius Mossotti model; Lichtenecker model; Vo Shi model;
Dielectric study of primary alkanediols (C3, C4, C5) with 1-pentanol isomers
Keywords: لحظه ناهموار; Relative permittivity; Dipole moment; Kirkwood correlation factor; Excess parameter;
Studying several physical and quantum properties of 1-hexyl-3-methylimidazoliumhexaflurorophosphate using density functional theory
Keywords: لحظه ناهموار; DFT; HMimpf6; Polarization; Dipole moment; Energy gap; Quantum properties;
Theoretical investigation of the diatomic Van der Waals systems Ca+He and CaHe
Keywords: لحظه ناهموار; Van der Waals systems; Pseudo-potential; Spectroscopic parameters; Potential energy; Vibrational properties; Dipole moment;
Photoacidity of the N-salicylidene-5-chloroaminopyridine
Keywords: لحظه ناهموار; Salicylidenes; Photoacidity; Dipole moment; TD-DFT; TCSPC;
Subpicosecond dynamics of the molecular polyalanine dipole moment
Keywords: لحظه ناهموار; Biomolecule; Peptides; Computer simulation; Molecular dynamics; Dipole moment; Biomolecular electronics;
Solvatochromic properties of two related N-salicylidenanilines with dual fluorescence
Keywords: لحظه ناهموار; N-salicylidene-anilines; Solvatochromism; Tautomers; Fluorescence; Dipole moment;
Boron/nitrogen substituted the staggered hetero-dimers: Fascinating intermolecular charge-transfer and large NLO responses
Keywords: لحظه ناهموار; Stable Ï-dimer; Structure-property relationship; Intermolecular charge-transfer; First hyperpolarizability density; Dipole moment; Nonlinear optical materials;
Spectroscopic studies on newly synthesized 5-(2-hydroxy-5-methoxy-phenyl)-2-phenyl-2H-pyridazin-3-one molecule
Keywords: لحظه ناهموار; Activation energy; Dipole moment; Fluorescence quenching; Pyridazin-3(2H)-one; Solvatochromic shift method; Stern-Volmer plot;
Comparison of the molecular interactions of 7â²-carboxyalkyl apigenin derivatives with S. cerevisiae α-glucosidase
Keywords: لحظه ناهموار; Molecular docking; Quantum chemical calculations; α-Glucosidase; Dipole moment; Charge density;
A combined experimental and theoretical approach for structural, spectroscopic, NLO, NBO, thermal and photophysical studies of new fluorescent 5-amino-1-(7-chloroquinolin-4-yl)-1H-1,2,3-triazole-4-carbonitrile using density functional theory
Keywords: لحظه ناهموار; 1,2,3-Triazole; Denisty functional theory; Spectroscopic studies; Solvatochromism; Dipole moment;