Glasser, 2016, Predictive thermodynamics for ionic solids and liquids, Phys. Chem. Chem. Phys., 18, 21226, 10.1039/C6CP00235H
Van De Walle, 2018, The thermodynamic database database, Calphad, 61, 173, 10.1016/j.calphad.2018.04.003
Mostafa, 1995, Prediction of standard heats and gibbs free energies of formation of solid inorganic salts from group contributions, Ind. Eng. Chem. Res., 34, 4577, 10.1021/ie00039a053
Davies, 2016, Computational screening of all stoichiometric inorganic materials, Chem, 1, 617, 10.1016/j.chempr.2016.09.010
Yoder, 2005, Geochemical applications of the simple salt approximation to the lattice energies of complex materials, Am. Miner., 90, 488, 10.2138/am.2005.1537
"NIST Chemistry Webbook" Group Additivity Based Estimates. https://webbook.nist.gov/chemistry/grp-add/ (accessed October 2021).
Bader, 2000, Properties of atoms in molecules: group additivity, J. Phys. Chem. A, 104
Benson, 1976
Hisham, 1988, Thermochemistry of inorganic solids. 8. Empirical relations among the enthalpies of formation of different anionic compounds, J. Phys. Chem., 92, 6107, 10.1021/j100332a052
Hisham, 1987, Thermochemistry of inorganic solids. 6. The enthalpies of formation of crystalline hydrates, ammoniates, and alcoholates, and some observations on heats of dilution, J. Phys. Chem., 91, 5998, 10.1021/j100307a037
Spencer, 1998, Estimation of thermodynamic data for metallurgical applications, Thermochim. Acta, 314, 1, 10.1016/S0040-6031(97)00469-3
Mostafa, 1996, Prediction of heat capacities of solid inorganic salts from group contributions, Ind. Eng. Chem. Res., 35, 343, 10.1021/ie9501485
Glasser, 2009, Single-ion entropies, Siono, of solids - a route to standard entropy estimation, Inorg. Chem., 48, 7408, 10.1021/ic9009543
Glasser, 2013, Single-ion values for ionic solids of both formation enthalpies, ΔfH(298)ion, and Gibbs formation energies, ΔfG(298)ion, Inorg. Chem., 52, 992, 10.1021/ic3022479
Leal, 2014, Can a simple ionic model provide useful enthalpies of formation values?, J. Chem. Thermodyn., 73, 232, 10.1016/j.jct.2014.01.003
Wikipedia Thermodynamic databases for pure substances. https://en.wikipedia.org/wiki/Thermodynamic_databases_for_pure_substances (accessed February 2022).
Nyman, 2012, Statistical approach to quality control of large thermodynamic databases, Metall. Mater. Trans. B Process Metall. Mater. Process. Sci., 43, 1113, 10.1007/s11663-012-9679-6
Shults, 2019, Estimating the thermodynamic properties of chemical compounds, based on quantitative structural property relationships, Russ. J. Phys. Chem. A, 93, 1209, 10.1134/S0036024419070264
Khriplovich, 1979, The accuracy of approximate methods for estimating absolute entropy of inorganic substances. A new method for estimating, Inorg. Nuclear Chem. Lett., 15, 71, 10.1016/0020-1650(79)80062-8
Sanchez-Segado, 2021, A comparison of methods for the estimation of the enthalpy of formation of rare earth compounds, Phys. Chem. Chem. Phys., 23, 24273, 10.1039/D1CP03280A
Glasser, 2005, Predictive thermodynamics for condensed phases, Chem. Soc. Rev., 34, 866, 10.1039/b501741f
Verevkin, 2021, Prediction of thermodynamic properties: centerpiece approach—how do we avoid confusion and get reliable results?, J. Therm. Anal. Calorim., 21
Kapustinskii, 1956, Lattice energy of ionic crystals, Quart. Rev. Chem. Soc., 10, 283, 10.1039/qr9561000283
Glasser, 1995, Lattice energies of crystals with multiple ions - a generalised Kapustinskii equation, Inorg. Chem., 34, 4935, 10.1021/ic00124a003
Glasser, 2022, The equivalence of the charge interaction sum and the ionic strength, Chem. Thermodyn. Therm. Anal., 6
Glasser, 2013, Thermodynamic estimation: ionic materials, J. Solid State Chem., 206, 139, 10.1016/j.jssc.2013.08.008
Glasser, 2011, Volume-based thermodynamics: a prescription for its application and usage in approximation and prediction of thermodynamic data, J. Chem. Eng. Data, 56, 874, 10.1021/je100683u
Rumble, 2022
Bale, 2016, FactSage thermochemical software and databases, 2010–2016, Calphad, 54, 35, 10.1016/j.calphad.2016.05.002
Thermfact/CRCT; GTT-technologies FactSage 8.1. https://www.factsage.com/ (accessed October 2021).
Holland, 2013, New thermodynamic models and calculated phase equilibria in NCFMAS for basic and ultrabasic compositions through the transition zone into the uppermost lower mantle, J. Petrol., 54, 1901, 10.1093/petrology/egt035
R. Powell; T.J.P. Holland; R. White. THERMOCALC. http://www.metamorph.geo.uni-mainz.de/thermocalc/ (accessed August 2014).
Metso: Outotec HSC Chemistry. https://www.mogroup.com/portfolio/hsc-chemistry/ (accessed March 2022).
CASTEP. http://www.castep.org/ (accessed February 2022).
Latimer, 2018, Evaluation of thermodynamic equations of state across chemistry and structure in the materials project, npj Comput. Mater., 4, 0, 10.1038/s41524-018-0091-x
Jain, 2013, The materials project: a materials genome approach to accelerating materials innovation, APL Mater., 1, 10.1063/1.4812323
Wang, 2021, A framework for quantifying uncertainty in DFT energy corrections, Sci. Rep., 11, 15496, 10.1038/s41598-021-94550-5
Kim, 2001, Density functional theory studies on the dissociation energies of metallic salts: relationship between lattice and dissociation energies, J. Comput. Chem., 22, 827, 10.1002/jcc.1048
von Szentpály, 2018, Eliminating symmetry problems in electronegativity equalization and correcting self-interaction errors in conceptual DFT, J. Comput. Chem., 39, 1949, 10.1002/jcc.25356
R. Friedrich, D. Usanmaz, C. Oses, A. Supka, M. Fornari, M.B. Nardelli, C. Toher, S. Curtarolo. Coordination corrected ab initio formation enthalpies. (2019) arXiv:811.08952v2.
Glasser, 2022, Additive single atom values for thermodynamics I: volumes, entropies, heat capacities of ionic solids, J. Chem. Thermodyn., 166, 10.1016/j.jct.2021.106685
Wildman, 1999, Prediction of physicochemical parameters by atomic contributions, J. Chem. Inf. Comput. Sci., 39, 868, 10.1021/ci990307l
"byundt" Chemical Parsing. https://www.google.com/search?client=firefox-b-d&q=Chemical%20Parsing.xls (accessed May 2021).
Johnson, 1972, The enthalpies of formation of XeF6(c), XeF4(c), XeF2(c), and PF3(g), J. Chem. Thermodyn., 4, 879, 10.1016/0021-9614(72)90010-9
Jenkins, 2005, Thermodynamics of the Relationship between Lattice Energy and Lattice Enthalpy, J. Chem. Educ., 82, 950, 10.1021/ed082p950
Saxena, 2013, 245