Keywords: کالری سنجی احتراق; Gallic-ellagic acids; Knudsen effusion; Combustion calorimetry; Enthalpy of formation; Gn (nâ¯=â¯3, 4); DFT (M05-2X);
مقالات ISI کالری سنجی احتراق (ترجمه نشده)
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Keywords: کالری سنجی احتراق; Yruvic acid; Combustion calorimetry; Transpiration method; Vapor pressure measurements; Enthalpy of formation; Thermodynamic properties; ab initio calculation;
Keywords: کالری سنجی احتراق; 5-fluoro-2-methylbenzoxazole; 5-fluoro-2-methylbenzothiazole; Enthalpy of formation; Enthalpy of vaporization; Comparison experiments; Combustion calorimetry; Calvet microcalorimetry; Heat capacity; G3(MP2)//B3LYP method;
Keywords: کالری سنجی احتراق; Lactic acid; Combustion calorimetry; Transpiration method; Differential scanning calorimetry; Vapour pressure; Enthalpy of formation; Thermodynamic functions; ab initio calculations; Statistical thermodynamic;
Keywords: کالری سنجی احتراق; Uridine; Combustion calorimetry; Enthalpy of formation; G3(MP2) method;
Keywords: کالری سنجی احتراق; Steroid hormone; Methylprednisolone; Heat capacity; Combustion calorimetry; Vapor pressure; Thermodynamic functions;
Keywords: کالری سنجی احتراق; Standard molar enthalpy of formation; Combustion calorimetry; Calvet microcalorimetry; Theoretical calculations; Nitroimidazole isomers;
Keywords: کالری سنجی احتراق; Combustion calorimetry; Enthalpy of formation; Enthalpy of sublimation; 5-Isopropylbarbituric acid; 2-Thiobarbituric acid; G3 and G4 calculations
Keywords: کالری سنجی احتراق; Flame retardant; Nylon-cotton fabric; Melamine polyphosphate; Nanocoating; Combustion calorimetry;
Keywords: کالری سنجی احتراق; Enthalpy of formation; Enthalpy of vaporisation; Combustion calorimetry; Vapour pressure measurements; Anisole derivatives; Quantum-chemical calculations;
Keywords: کالری سنجی احتراق; Enthalpy of formation; Enthalpy of vaporisation; Combustion calorimetry; Vapour pressure measurements; Diols; Quantum-chemical calculations; Thermodynamic properties;
Keywords: کالری سنجی احتراق; Methylbenzonitrile; Combustion calorimetry; Transpiration method; Enthalpy of formation; Vapor pressure; Enthalpy of vaporization; Group additivity;
Keywords: کالری سنجی احتراق; Vapour pressure; Enthalpy of vaporization; Enthalpy of sublimation; Enthalpy of formation; Transpiration method; Combustion calorimetry; DSC; Azide
Keywords: کالری سنجی احتراق; Enthalpy of combustion; Enthalpy of vaporization; Enthalpy of formation; Combustion calorimetry; High temperature Calvet microcalorimetry; G3(MP2)//B3LYP calculations; 1,2,5-Trimethylpyrrole; Dimethylpyrrole isomers; Trimethylpyrrole isomers; Tetramethylp
Keywords: کالری سنجی احتراق; Benzothiazole; 2-Methylbenzothiazole; 2,5-Dimethylbenzothiazole; Enthalpy of formation; Enthalpy of vaporization; Enthalpy of sublimation; Combustion calorimetry; Calvet microcalorimetry; Heat capacity; G3//B3LYP composite method
Keywords: کالری سنجی احتراق; Enthalpy; Sublimation; Combustion calorimetry; Calvet microcalorimetry; G3 and G4 calculations; NICS
Keywords: کالری سنجی احتراق; Thermochemistry; Combustion calorimetry; Enthalpy of formation; Enthalpy of sublimation; Enthalpy of vaporization; Calvet microcalorimetry; Methoxyacetophenone; DFT; B3LYP; Composite methods; G3; Cox scheme;
Keywords: کالری سنجی احتراق; Enthalpy; Entropy; Gibbs free energy; Formation; Sublimation; Combustion calorimetry; Vapour pressures; G3(MP2)//B3LYP; Calvet microcalorimetry; Knudsen effusion;
Keywords: کالری سنجی احتراق; Ionic liquids; Thermochemistry; Standard molar enthalpy of formation; Enthalpy of vaporisation; DSC; Combustion calorimetry; X-ray diffraction; Ab initio calculations
Keywords: کالری سنجی احتراق; 2-Benzothiazolinone; 2-Hydroxybenzothiazole; Enthalpy of formation; Combustion calorimetry; Calvet microcalorimetry; G3(MP2)//B3LYP composite method;
Keywords: کالری سنجی احتراق; Vitamin B8; Myo-inositol; Adiabatic vacuum calorimetry; Heat capacity; Combustion calorimetry; Thermodynamic functions;
Experimental and theoretical thermodynamic properties of RS-(±)- and S-(+)-mandelic acids
Keywords: کالری سنجی احتراق; Mandelic acid; Enantiomers; Racemic form; Combustion calorimetry; Transpiration method; Vapor pressure measurements; Enthalpy of formation; Enthalpy of fusion; Thermodynamic properties; Ab initio calculations;
Thermodynamic properties of S-(â)-nicotine
Keywords: کالری سنجی احتراق; Nicotine; Alkaloids; Combustion calorimetry; Transpiration method; Vapor pressure measurements; Enthalpy of formation; Thermodynamic properties; Ab initio calculations;
Energetic vs structural effects of aminoalkyl substituents in the morpholine
Keywords: کالری سنجی احتراق; Combustion calorimetry; Calvet microcalorimetry; Enthalpy of formation; Enthalpy of vaporization; Enthalpy of combustion; Conformational composition;
Thermochemical studies on two alkyl-bulky substituted xanthene derivatives: 9,9-dimethylxanthene and 2,7-di-tert-butyl-9,9-dimethylxanthene
Keywords: کالری سنجی احتراق; Combustion calorimetry; Enthalpy of sublimation; Enthalpy of formation; Vapour pressure; 2,7-Di-tert-butyl-9,9-dimethylxanthene conformers; Xanthene derivatives;
Thermodynamic properties of vitamin B9
Keywords: کالری سنجی احتراق; Vitamin B9; Folic acid dihydrate; Adiabatic vacuum calorimetry; Heat capacity; Combustion calorimetry; Thermodynamic functions
Adamantanes: Benchmarking of thermochemical properties
Keywords: کالری سنجی احتراق; Adamantane derivatives; Combustion calorimetry; Vapour pressure; Transpiration method; Solution calorimetry; Enthalpies of phase transitions
Experimental and computational energetic study of 1-R-2-phenylindole (RÂ =Â H, CH3, C2H5)
Keywords: کالری سنجی احتراق; Standard molar enthalpy of formation; Combustion calorimetry; Knudsen effusion; Theoretical calculations; 2-Phenylindole; 1-Methyl-2-phenylindole; 1-Ethyl-2-phenylindole;
Experimental and computational study on the energetics of N-acetyl-l-cysteine
Keywords: کالری سنجی احتراق; Enthalpy of combustion; Enthalpy of formation; Combustion calorimetry; G3 and G4 calculations; N-acetyl-l-cysteine
Thermodynamic properties of vitamin B2
Keywords: کالری سنجی احتراق; Vitamin B2; Riboflavin; Adiabatic vacuum calorimetry; Heat capacity; Combustion calorimetry; Thermodynamic functions
Reprint of: Energetics and molecular structure of alkyl 1-methylpyrrolecarboxylates (alkyl = methyl or ethyl)
Keywords: کالری سنجی احتراق; Enthalpy of combustion; Enthalpy of vaporization; Enthalpy of formation; Combustion calorimetry; High temperature Calvet microcalorimetry; G3(MP2)//B3LYP calculations; Methyl 1-methyl-2-pyrrolecarboxylate; Methyl 1-methyl-3-pyrrolecarboxylate; Ethyl 1-met
Thermochemical properties of 4-N,N-dialkylamino-7-nitrobenzofurazan derivatives (alkyl = methyl, ethyl)
Keywords: کالری سنجی احتراق; Enthalpy of combustion; Enthalpy of sublimation; Enthalpy of formation; Combustion calorimetry; Knudsen effusion; G3(MP2)//B3LYP calculations; 4-N,N-Dimethylamino-7-nitrobenzofurazan; 4-N,N-Diethylamino-7-nitrobenzofurazan
Experimental thermochemical study of 2-chloroacetophenone and 2,4’-dichloroacetophenone
Keywords: کالری سنجی احتراق; Standard molar enthalpy of formation; Standard molar enthalpy of sublimation; Combustion calorimetry; Knudsen effusion method; Calvet microcalorimetry; 2-Chloroacetophenone; 2,4’-Dichloroacetophenone
Enthalpies of formation of nitromethane and nitrobenzene: New experiments vs. quantum chemical calculations
Keywords: کالری سنجی احتراق; Combustion calorimetry; Enthalpy of formation; Enthalpy of vaporisation; Vapour pressure; G4 quantum chemical calculations
Thermodynamic properties of the methyl esters of p-hydroxy and p-methoxy benzoic acids
Keywords: کالری سنجی احتراق; Methyl p-hydroxybenzoate; Methyl p-methoxybenzoate; Formation; Sublimation; Vaporization; Fusion; Enthalpy; Entropy; Gibbs free energy; Combustion calorimetry; Vapor pressures; Hydrogen bond; Theoretical calculations
S6 Isomer of C60(CF3)12: Synthesis, properties and thermodynamic functions
Keywords: کالری سنجی احتراق; Combustion calorimetry; Enthalpy of formation; Heat capacity; Bond dissociation energy; Trifluoromethylfullerene; Density functional theory; Fullerene polyadducts;
Enthalpies of formation of 5,6-dihydro-5-methyluracil and 5,6-dihydro-6-methyluracil
Keywords: کالری سنجی احتراق; Thermochemistry; Combustion calorimetry; Energy of combustion; Enthalpy of formation; Enthalpy of sublimation; Knudsen effusion; 5,6-Dihydro-5-methyluracil; 5,6-Dihydrothymine; 5,6-Dihydro-6-methyluracil
Energetics and molecular structure of alkyl 1-methylpyrrolecarboxylates (alkyl = methyl or ethyl)
Keywords: کالری سنجی احتراق; Enthalpy of combustion; Enthalpy of vaporization; Enthalpy of formation; Combustion calorimetry; High temperature Calvet microcalorimetry; G3(MP2)//B3LYP calculations; Methyl 1-methyl-2-pyrrolecarboxylate; Methyl 1-methyl-3-pyrrolecarboxylate; Ethyl 1-met
Experimental and computational study on the energetics of the cyclic anhydrides of glycine and alanine
Keywords: کالری سنجی احتراق; Enthalpy of combustion; Enthalpy of sublimation; Enthalpy of formation; Combustion calorimetry; Knudsen effusion technique; G3 and G4 calculations; Glycine anhydride; DL-alanine anhydride
The enthalpies of formation of alkyl carbamates: Experimental and computational redetermination
Keywords: کالری سنجی احتراق; Enthalpy of combustion; Enthalpy of sublimation; Enthalpy of formation; Combustion calorimetry; High temperature Calvet microcalorimetry; G3(MP2)//B3LYP calculations; Methyl carbamate; Ethyl carbamate
Experimental and computational study of the energetics of hydantoin and 2-thiohydantoin
Keywords: کالری سنجی احتراق; Imidazolidine; Hydantoin; 2-Thiohydantoin; Enthalpy of formation; Enthalpy of sublimation; Combustion calorimetry; Vapour pressure; Knudsen effusion technique; Calvet microcalorimetry; Heat capacity; G3(MP2)//B3LYP composite method
Experimental and computational thermochemical studies of benzoxazole and two chlorobenzoxadole derivatives
Keywords: کالری سنجی احتراق; Benzoxazole derivatives; 5-Chloro-2-methylbenzoxazole; 2-Chlorobenzoxazole; Enthalpy of formation; Enthalpy of sublimation; Combustion calorimetry; Calvet microcalorimetry; Heat capacity; G3(MP2)//B3LYP composite method
Experimental and computational thermodynamic study of ortho- meta- and para-aminobenzamide
Keywords: کالری سنجی احتراق; Aminobenzamide; Enthalpy of sublimation; Enthalpy of combustion; Enthalpy of formation; Enthalpy of fusion; Knudsen effusion; Vapour pressures; Combustion calorimetry; Quantum chemical calculations; G3 theory
Experimental and computational study of the thermochemistry of the three iodonitrobenzene isomers
Keywords: کالری سنجی احتراق; Energy of combustion; Enthalpy of sublimation; Enthalpy of formation; Vapor pressures; Combustion calorimetry; Knudsen effusion; High temperature Calvet microcalorimetry; Cox scheme, B3LYP6-311++G(d,p) calculations; Monoiodonitrobenzene isomers
Renewable platform-chemicals and materials: Thermochemical study of levulinic acid
Keywords: کالری سنجی احتراق; Sustainable chemistry; Enthalpy of formation; Enthalpy of vaporisation; Combustion calorimetry; Vapour pressure measurements; 5-Hydroxymethylfurfural; Levulinic acid; Ab initio calculations
Standard molar enthalpies of formation of three methyl-pyrazole derivatives
Keywords: کالری سنجی احتراق; 3-Methyl-1-pyrazolecarboxamide; 3-Methyl-3-pyrazoline-5-one; 4-Methyl-2-pyrazoline-5-one; Combustion calorimetry; Energy of combustion; Knudsen effusion; Vapour pressure; Enthalpy of sublimation; Standard molar enthalpy of formation; Thermochemistry
Thermodynamic properties of fluoranthene: An experimental and computational study
Keywords: کالری سنجی احتراق; Fluoranthene; Fluorene; Enthalpy of combustion; Enthalpy of sublimation; Enthalpy of vapourization; Enthalpy of fusion; Temperature of fusion; Enthalpy of formation; Combustion calorimetry; Vapour pressure; G3 calculations; G4 calculations
Fluorene: An extended experimental thermodynamic study
Keywords: کالری سنجی احتراق; Fluorene; Enthalpy of combustion; Enthalpy of sublimation; Enthalpy of vaporization; Enthalpy of fusion; Enthalpy of formation; Combustion calorimetry; Vapor pressure
Thermochemistry of ammonium based ionic liquids: Tetra-alkyl ammonium nitrates – Experiments and computations
Keywords: کالری سنجی احتراق; Ionic liquids; Combustion calorimetry; Enthalpy of formation; Enthalpy of vaporization; Enthalpy of fusion; Solution calorimetry; Enthalpy of solution; Differential scanning calorimertry; First-principles calculations
Molecular energetics of pyrrolecarbonitriles and derivatives: A combined calorimetric and computational study
Keywords: کالری سنجی احتراق; Enthalpy of combustion; Enthalpy of sublimation; Enthalpy of vaporization; Enthalpy of formation; Combustion calorimetry; High temperature Calvet microcalorimetry; G3(MP2)//B3LYP calculations; 2-Pyrrolecarbonitrile; 3-Pyrrolecarbonitrile; 1,5-Dimethyl-2-p