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Thermochemical Study of Bismuth Cobalt Dysprosium Oxide: The Enthalpy of Formation and Lattice Enthalpy
AbstractBismuth cobalt dysprosium oxide of composition Bi 12.5 Dy 1.5 CoO 22.325 has been prepared by solid-state reactions. The compound has a cubic...
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Thermodynamics of Cesium Molybdate-Based Single Crystals: Standard Enthalpy of Formation, Lattice Enthalpy, and Heat Capacity
AbstractCs 2 MoO 4 and Li 1.9 Cs 0.1 MoO 4 crystals were grown from melt by the low-thermal-gradient Czochralski technique. The standard formation enthalpy...
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Estimation of the Standard Enthalpy of Formation of Crystalline Alkali Metal Borates
AbstractA structure–property correlation has been developed, which makes it possible to choose the optimal values of the enthalpy of formation of...
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Enthalpy of Formation of Gaseous Nitryl Fluoride FNO2
AbstractContradictory literature data on thermal stability, some methods of synthesis, and thermodynamic characteristics of nitryl fluoride have been...
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Heterophase Synthesis of Silver Trifluoroacetate with Copper, Indium, and Zinc. Standard Enthalpy of Formation of Copper Trifluoroacetate
AbstractSolid-phase reactions of silver trifluoroacetate CF 3 COOAg with copper, indium, and zinc are studied by thermogravimetry, differential...
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Quantum-Chemical Calculations of the Enthalpy of Formation for 5/6/5 Tricyclic Tetrazine Derivatives Annelated with Nitrotriazoles
AbstractThis paper presents the study of the calculated physicochemical properties of new high-energy 5/6/5 tricyclic structures, which are 1,2,3,4-...
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Propargyl-Substituted Furazanoazepines: Synthesis, Structure, Enthalpy of Formation, Ballistic Efficiency
Abstract7-propargyl-7 H -difurazano[3,4-b:3',4'-f]furoxano[3",4"-d]azepine ( Az(O)Prg ) and 7-propargyl-7 H -trifurazano[3,4-b:3',4'-d:3",4"-f]azepine (AzPrg)...
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Calculation of the Formation Enthalpy and the Ionic Equilibrium Constant of Organic Substances by Quantum Chemistry Methods
AbstractUsing composite methods of quantum chemical calculations and the atomization method, the values of the enthalpy of formation for a test set...
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Is everything correct? The formation enthalpy estimation and data revision of nitrate and perchlorate salts
ContextIn modern searches for the structure of high-energy-density compounds with high operational, detonation, and physicochemical...
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Estimation of Enthalpy of Formation Using Benson’s Group Addition and Functional Group Correction
T he enthalpies of formation of solid organic compounds containing carbon, nitrogen, oxygen, and hydrogen were estimated using two suggested...
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Enthalpy of formation of sodium, magnesium and lithium compounds with composite methods
The heats of formation of forty-six molecules containing sodium, lithium and magnesium atoms have been calculated using G3X-CEP, G3X(CCSD)-CEP, G4,...
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Cyanomethyl-Substituted Furazanoazepines: Synthesis, Structure, Enthalpy of Formation, and Ballistic Efficiency
Abstract7-Cyanomethyl-7 Н -difurazano[3,4-b:3′,4′-f]furoxano[3″,4″-d]azepine (Az(O)CH 2 CN) and 7-cyanomethyl-7 Н -trifurazano[3,4-b:3′,4′-d:3″,4″-f]azepin...
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Methyl-Substituted Derivatives of Furazanoazepines: Synthesis, Structure, Enthalpy of Formation, and Ballistic Efficiency
AbstractEnergy-intensive compounds AzCH 3 , 7-methyl-7 Н -trifurazano[3,4-b:3′,4′-f:3″,4″-d]azepine, and Az(O)CH 3 , 7-methyl-7 Н -difurazano[...
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A New Determination of the Enthalpy of Formation of Fluoride Anions in Aqueous Solutions
AbstractDue to doubts about the correctness of the enthalpy of formation given in foreign reference manuals for F − ions in aqueous solutions, we...
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Allyl-Substituted Furazanoazepines, Synthesis, Structure, Enthalpy of Formation, And Ballistic Efficiency
AbstractThe synthesis of new energy-intensive compounds, 7-allyl-7 H -trifurazano[3,4-b:3',4'-f:3",4"-d]azepine ( AzAll ) and 7-allyl-7 H -difurazano[3,4-b...
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High-precision standard enthalpy of formation for polycyclic aromatic hydrocarbons predicting from general connectivity based hierarchy with discrete correction of atomization energy
The standard enthalpy of formation is an important predictor of the reaction heat of a chemical reaction. In this work, a high-precision method was...
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Thermodynamic Characteristics of the Sodium Dimolybdate Single Crystal: Enthalpy and Heat Capacity
AbstractThe standard enthalpy of formation of sodium dimolybdate was determined by dissolution calorimetry based on the measured enthalpies of...
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Enthalpy–Entropy Compensation in Reactions of Oxirane Ring Opening
AbstractResults are summarized from a systematic study of the enthalpy–entropy compensation effect in non-catalytic and pyridine-catalyzed reactions...
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Enthalpy–entropy compensation and isoequilibrium relationship in thermo-chemical conversion of cigarette butt filters (CBFs) based on cellulose acetate (CA): causes and effects
The aim of this study is to explain the consequences of the occurrence of enthalpy–entropy compensation (EEC) and isoequilibrium relationship during...
