Keywords: قطبش; Molecular structure; Vibrational spectra; Polarizabilities; NBO; HOMO-LUMO energy;
مقالات ISI قطبش (ترجمه نشده)
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Keywords: قطبش; Structure; Dipole moment; Polarizabilities; Hyperpolarizabilities
Keywords: قطبش; Density functional theory; Exchange-correlation functional; Exchange potential asymptotic behavior; Polarizabilities; Hyperpolarizabilities; Molecular dynamics;
Keywords: قطبش; Electron density; Polarizabilities; Organometallic chemistry; Atoms in molecules;
Keywords: قطبش; Molecular structure; Solvent effects; Dipole moments; Polarizabilities; Second-order perturbation theory; Ab initio restricted HF-DFT self-consistent field calculations;
Experimental and theoretical studies on new 7-(3,6-di-tert-butyl-9H-carbazol-9-yl)-10-alkyl-10H-phenothiazine-3-carbaldehydes
Keywords: قطبش; Carbazole; Phenothiazine; GIAO; Polarizabilities; Hyperpolarizabilities;
Scattering from a topological insulator sphere in chiral metamaterial under quasi-static perspective
Keywords: قطبش; Topological insulator; Quasi-static; Chiral medium; Sphere; Scattering; Polarizabilities;
Factors affecting the strengths of σ-hole electrostatic potentials
Keywords: قطبش; σ-Hole; Molecular surface electrostatic potentials; Trends in σ-hole potentials; Electronegativities; Polarizabilities; Charge capacities
Precision of calculated static polarizabilities: Ga, In and Tl atoms
Keywords: قطبش; Polarizabilities; Ga; In; Tl; Coupled cluster methods;
Dipole (hyper)polarizabilities of fluorinated benzenes: An ab initio investigation
Keywords: قطبش; Fluorobenzenes; Dipole moments; Polarizabilities; Hyperpolarizabilities; Ab initio calculations
Torsional potential and nonlinear optical properties of phenyldiazines and phenyltetrazines
Keywords: قطبش; Phenyldiazines; Phenyltetrazines; Torsional potential; Polarizabilities; Hyperpolarizabilities;
Theoretical study on the polarizability and hyperpolarizability of hydrogen bonded complexes of nitropyridines with hydrogen fluoride
Keywords: قطبش; Nonlinear optics; Time-dependent Hartree-Fock (TDHF) method; Finite Field (FF) method; Polarizabilities; Hyperpolarizabilities; Hydrogen bond;
Infrared optical constants, dielectric constants, molar polarizabilities, transition moments, dipole moment derivatives and Raman spectrum of liquid cyclohexane
Keywords: قطبش; Infrared; Raman; Cyclohexane; Liquid properties; Assignments; Transition moments; Dipole moment derivatives; Optical constants; Dielectric constants; Polarizabilities
Algebraic-diagrammatic construction propagator approach to molecular response properties
Keywords: قطبش; Response properties; Polarizabilities; Propagator methods;
Effect of hydrogen bonds on physical properties of ammonium dihydrogenphosphate crystals
Keywords: قطبش; Hydrogen bonds; Polarizabilities; Ammonium dihydrogenphosphate;