Results 31 to 40 of about 35,050 (341)

Some empirical correlations between the thermodynamic properties of hydrogen cyanide, water and acetylene molecules and their infrared spectra [PDF]

Trakia Journal of Sciences, 2018
A new method for calculating vibrational modes in the infrared region of the spectrum is proposed. The method is based on the thermodynamic parameters of the molecules- standard molar Gibbs free energy change of molecular formation ΔGf0 (kJ/mol ...
A. Atanasov
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Thermodynamics of interaction between polyreactive immunoglobulins and immobilized antigen [PDF]

The Ukrainian Biochemical Journal, 2021
In order to determine thermodynamic parameters of the interaction between polyreactive immunoglobulins (PRIGs) and immobilized antigen, several of experimental kinetic curves of PRIGs binding to immobilized ovalbumin were obtained at different ...
S. A. Bobrovnik, O. V. Ogloblya, M. O. Demchenko, S. V. Komisarenko   +3 more
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Molecular Structure of M(N₁₃) Compounds with 12-Membered Nitrogen-Containing Cycle and Axial Nitrogen Atom (M = Mn, Fe): Quantum-Chemical Design by DFT Method

Quantum Reports, 2023
Based on the results of a quantum chemical calculation using the DFT method in the B3PW91/TZVP, OPBE/TZVP, M06/TZVP, and M062/Def2TZVP levels, the possibility of the existence of M(N13) chemical compounds (M = Mn, Fe) that are unknown for these elements ...
Oleg V. Mikhailov, Denis V. Chachkov
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Thermodynamics of formation of solid solutions between BaZrO3 and BaPrO3

Chimica Techno Acta, 2020
A linear relationship between the standard enthalpy of formation from binary oxides, ΔfHox, and the Goldschmidt tolerance factor, t, for some AIIBIVO3 (A = Ca, Sr, Ba; B = Ti, Zr, Hf, Ce, Pr, Tb, U, Pu, Am) perovskite oxides was used for estimation of ...
Dmitry S. Tsvetkov, Vladimir V. Sereda, Dmitry A. Malyshkin, Anton L. Sednev-Lugovets, Andrey Yu. Zuev, Ivan L. Ivanov   +5 more
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Semi-Empirical Investigation of Electronic, Vibrational and Thermodynamic Properties of Perylene Molecule (C20H12)

East European Journal of Physics, 2023
This work investigates computationally the spectroscopic and thermodynamics properties of the perylene molecule (C20H12) in the gas phase by utilizing a semi-empirical method [Hyper Chem8.0 and WinMopac7.0] programs, via (MNDO-PM3).
Abdul Hakim Sh. Mohammed, Issa Z. Hassan, Hassan A. Kadhem, Rosure Borhanalden Abdulrahman   +3 more
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STANDARD ENTHALPIES OF FORMATION OF CLUSTERS IN Pb-Bi SYSTEM IN VAPOUR AND CONDENSED PHASES [PDF]

Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2011
The standard enthalpies of formation of clusters in condensed phase of Pb-Bi system were calculated by Miedema method. Also, the standard enthalpies of formation of clusters in vapour phase of Pb-Bi system were calculated.
N.M. Barbin, D.I. Terentev, S.G. Alekseev   +2 more
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Enthalpy of formation of sodium bis(oxalato)cuprate(II) dihydrate

Chemical Thermodynamics and Thermal Analysis, 2023
The thermal decomposition pathways of the mineral wheatleyite (sodium bis(oxalato)cuprate(II) dihydrate, Na2Cu(C2O4)2⋅2H2O) have not been established with certainty and the enthalpy of formation of wheatleyite has not been reported.
Ibrahim Y. AbuNada, Sarah B. Howard, Isatu Kamara, Adam D. Taylor, Barbara A. Reisner, Xiaofeng Hu, Thomas C. DeVore   +6 more
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Standard enthalpies of formation of selected Ru2YZ Heusler compounds [PDF]

Journal of Alloys and Compounds, 2015
Abstract The standard enthalpies of formation of selected ternary Ru-based Heusler compounds Ru2YZ (Y = Fe, Hf, Mn, Ti, V; Z = Al, Ga, In, Si, Ge, Sn) were measured using high temperature direct reaction calorimetry. The measured enthalpies of formation (in kJ/mole of atoms) of the Heusler compounds are, Ru2FeGe (−19.7 ± 3.3); Ru2HfSn (−24.9 ± 3.6 ...
Ming Yin, Philip Nash
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Standard enthalpies of formation of lanthanum hydroxynitrates

The Journal of Chemical Thermodynamics, 1986
Peer ...
Auffredic, Jean-Paul, García Martínez, Oscar, Tigeras, Pilar, López-Delgado, Aurora   +3 more
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Heat Capacity and Thermodynamic Functions of Titanium-Manganites of Lanthanum, Lithium and Sodium of LaLi₂TiMnO₆ and LaNa₂TiMnO₆

Molecules, 2023
Titanium-manganites of LaLi2TiMnO6 and LaNa2TiMnO6 were synthesized by the methods of ceramic technology from the oxides of lanthanum, titanium (IV), manganese (III), and the carbonates of lithium and sodium. The types of their syngony and the parameters
Bulat Kunurovich Kasenov, Shuga Bulatovna Kasenova, Zhenisgul Imangalievna Sagintaeva, Sailaubai Baisanov, Natalya Yulievna Lu, Altynbek Nukhuly, Erbolat Ermekovich Kuanyshbekov   +6 more
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