Keywords: محاسبات نظری; Vanillin; Sublimation; Vaporization; Fusion; Formation; Theoretical calculations;
مقالات ISI محاسبات نظری (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
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در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
Keywords: محاسبات نظری; Matrix isolation; Infrared spectra; Theoretical calculations; Photodissociation; Oxidation; Mechanism;
Keywords: محاسبات نظری; 1,4-dihydropyridines; Photophysical properties; Experimental spectra; Theoretical calculations;
Keywords: محاسبات نظری; Basicity; Nitrogen compounds; Energy decomposition analysis (EDA); Theoretical calculations; 00-01; 99-00;
Keywords: محاسبات نظری; Mesoporous polymer; Polysilsesquioxane; Theoretical calculations;
Keywords: محاسبات نظری; Counterion effect; Charge distribution; Cyclopentadienide ion; Mono-phosphacyclopentadienide ion; Polyphosphacyclopentadienide ion; Theoretical calculations;
Keywords: محاسبات نظری; Reactive intermediates; 1,2-benzisoxazoles; Photochemistry; Phenoxyl radical; IR spectroscopy; Theoretical calculations;
Keywords: محاسبات نظری; Indophenol; Sodium borohydride; Reduction mechanism; DFT study; Theoretical calculations;
Keywords: محاسبات نظری; Iridium complexes; Trans-effect; Theoretical calculations; Bond dissociation energy;
Keywords: محاسبات نظری; Thermodynamic parameters; Host-guest interaction; Supramolecular system; Binding affinity; Competition; Theoretical calculations;
Keywords: محاسبات نظری; Guanidine; Vibrational spectroscopy; Theoretical calculations; NLO;
Keywords: محاسبات نظری; [3+2] cycloaddition; Carbonyl ylides; Enones; Enamines; Tetrahydrofurans; Theoretical calculations;
Keywords: محاسبات نظری; Riparin derivatives; Structural analysis; Theoretical calculations; ADMET; Antischistosomal compounds;
Keywords: محاسبات نظری; Photovoltaics; Theoretical calculations; Heterostructures;
Keywords: محاسبات نظری; In situ intercalation polymerization; Polyamide-6/graphite nanoflakes composites; Theoretical calculations; Thermal conductive pathways; Thermal conductivity;
Keywords: محاسبات نظری; Standard molar enthalpy of formation; Combustion calorimetry; Calvet microcalorimetry; Theoretical calculations; Nitroimidazole isomers;
Keywords: محاسبات نظری; Cyclodextrins; Inclusion complexes; Urease inhibitors; Biginelli adducts; Theoretical calculations;
Keywords: محاسبات نظری; Alkaline metal molybdates; Crystal structures; Enhancement of birefringence; Bandgap; Theoretical calculations;
Keywords: محاسبات نظری; Antimicrobial activity; Theoretical calculations; Thiophene; Tripods;
Keywords: محاسبات نظری; Ionic liquids; Binary solvent mixtures; Solvatochromic probes; Empirical solvent polarity; Theoretical calculations;
Dibrominated camphoric acid derived salen complexes: Synthesis, characterization and cytotoxic activity
Keywords: محاسبات نظری; Metal complexes; Halogenated salen ligands; Cytotoxic activity; Theoretical calculations; Electrochemical studies;
Keywords: محاسبات نظری; Isatin; Carbon steel; HCl; Corrosion inhibition; Surface; Adsorption; Theoretical calculations;
Keywords: محاسبات نظری; 1,3-Alternate calix[4]crowns; Alkali metal ions; Host-guest complextion; Electrospray ionization mass spectrometry; Theoretical calculations;
Keywords: محاسبات نظری; Squaraine dye; UV–vis spectroscopy; Solvatochromic effect; UV-irradiation; Solute-solvent interactions; Theoretical calculations
Keywords: محاسبات نظری; Ionic liquids; Explosives; Fluorescence quenching; Theoretical calculations; Sensors;
Keywords: محاسبات نظری; Sulfur isotopes; Sulfite; Bisulfite; Sulfoxylate; Isotope effects; Mass dependent; Theoretical calculations;
Keywords: محاسبات نظری; Kinetic; Gas-phase elimination; Allyl cyclohexyl amine; Allyl cyclohexyl sulfide; Allyl cyclohexyl ether; Allyl ethyl ether; Retro-ene mechanism; Theoretical calculations;
Keywords: محاسبات نظری; Photoluminescence; AIEE property; Triarylcyclopentadiene; Crystal structure; Theoretical calculations
Keywords: محاسبات نظری; Dipole moments; Solvatochromic method; Benzimidazole; Theoretical calculations;
Keywords: محاسبات نظری; Alloys; Lattice dynamics; Theoretical calculations;
Keywords: محاسبات نظری; Cysteine; Two-photon fluorescent probe; Naphthalimide; Theoretical calculations; Cell imaging
Keywords: محاسبات نظری; Energy of combustion; Enthalpy of formation; Enthalpy of sublimation; Theoretical calculations; 3-Acetylbenzonitrile; Benzoylacetonitrile;
Keywords: محاسبات نظری; Deep red fluorescent dyes; Stokes shifts; Biological imaging; Cytotoxicity; Theoretical calculations;
Keywords: محاسبات نظری; (2-Imidazolin-4-yl)phosphonate; Microwave; Multicomponent reaction; Theoretical calculations; Diethyl isocyanomethylphosphonate;
Keywords: محاسبات نظری; Xenon solutions; Infrared; Enthalpy differences; Vibrational assignments; Theoretical calculations; Cyclohexylamine
Keywords: محاسبات نظری; Azo phenols; Theoretical calculations; Molecular docking; Potentiometry;
Keywords: محاسبات نظری; 3-Phospholene oxide; Optical resolution; X-ray structure; Theoretical calculations; Pt-complexes; Hydroformylation;
Keywords: محاسبات نظری; Conformational analysis; Theoretical calculations; Anomeric effect; Halogenated methanols;
Keywords: محاسبات نظری; Potential energy surfaces; Cyclic silanes; Theoretical calculations; Far-infrared spectra; Hindered pseudorotation;
Keywords: محاسبات نظری; Boron nitride nanotubes; Ge doping; Gas sensor; Theoretical calculations;
Keywords: محاسبات نظری; Thermodynamics; Thioethers; Mercury; Silver; Theoretical calculations;
Keywords: محاسبات نظری; Conformational analysis; Theoretical calculations; Solvent effects; Dipole moment; Liquid crystals
Keywords: محاسبات نظری; 2-Thiomethyl-1-chloroethane; 4-Thiomethyl-1-chlorobutane; Kinetics; Thermal decomposition; Theoretical calculations;
Keywords: محاسبات نظری; Phosphinic acids; Thiophosphinates; Esterification; Microwave; Theoretical calculations; Mechanism;
Keywords: محاسبات نظری; Radical scavengers; Addition of a lipophilic tail; Addition of a sugar; Theoretical calculations; DFT method;
Keywords: محاسبات نظری; Microwave spectra; Structural parameters; Vibrational assignments; Theoretical calculations; 1,1,3,3-Tetrafluoro-1,3-disilacyclopentane;
Matrix isolation study of the reaction of O (3P) with 1,3 butadiene: Unexpected formation of ethylketene
Keywords: محاسبات نظری; Matrix isolation; Infrared spectra; Theoretical calculations; Photodissociation; Oxidation; Mechanism;
Conformational study of the electronic interactions and nitric oxide release potential of new Sânitrosothiols esters derivatives of ibuprofen, naproxen and phenyl acids substituted (SNO-ESTERS): Synthesis, infrared spectroscopy analysis and theoretical
Keywords: محاسبات نظری; SâNitrosothiols; Nitric oxide; Synthesis; Infrared spectroscopy; Theoretical calculations; Natural Bond Orbital;
Carvedilol-Imprinted Polymer: Rational design and selectivity studies
Keywords: محاسبات نظری; DFT; Theoretical calculations; Rational design; Carvedilol; Molecularly imprinted polymer;
A thiophene-based blue-fluorescent emitting chemosensor for detecting indium (III) ion
Keywords: محاسبات نظری; Fluorescent chemosensor; Indium; Theoretical calculations; Thiophene;