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- [1] MSTor: A program for calculating partition functions, free energies, enthalpies, entropies, and heat capacities of complex molecules including torsional anharmonicityCOMPUTER PHYSICS COMMUNICATIONS, 2012, 183 (08) : 1803 - 1812Zheng, JingjingMielke, Steven L.Clarkson, Kenneth L.Truhlar, Donald G.
- [2] Improved methods for Feynman path integral calculations and their application to calculate converged vibrational-rotational partition functions, free energies, enthalpies, entropies, and heat capacities for methaneJOURNAL OF CHEMICAL PHYSICS, 2015, 142 (04):Mielke, Steven L.Truhlar, Donald G.
- [3] Thermodynamic properties of illite, smectite and beidellite by calorimetric methods: Enthalpies of formation, heat capacities, entropies and Gibbs free energies of formationGEOCHIMICA ET COSMOCHIMICA ACTA, 2012, 89 : 279 - 301Gailhanou, H.Blanc, P.Rogez, J.Mikaelian, G.Kawaji, H.Olives, J.Amouric, M.Denoyel, R.Bourrelly, S.Montouillout, V.Vieillard, P.Fialips, C. I.Michau, N.Gaucher, E. C.
- [4] CADMIUM - IMIDAZOLE COMPLEX-FORMATION IN AQUEOUS-SOLUTIONS - STABILITY-CONSTANTS, CHANGES IN STANDARD FREE-ENERGIES, ENTHALPIES, ENTROPIES, AND HEAT-CAPACITIES ACCOMPANYING COMPLEX-FORMATION AT 5, 15, 25, AND 40 DEGREESCACTA CHEMICA SCANDINAVICA SERIES A-PHYSICAL AND INORGANIC CHEMISTRY, 1975, 29 (02): : 250 - 254JENSEN, JB
- [5] THERMODYNAMICS OF SALTING EFFECT - FREE-ENERGIES, ENTHALPIES, ENTROPIES, HEAT-CAPACITIES, AND VOLUMES OF TERNARY-SYSTEMS ELECTROLYTE-ALCOHOL-WATER AT 25-DEGREES CCANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1978, 56 (04): : 552 - 559PERRON, GJOLY, DDESNOYERS, JEAVEDIKIAN, LMOREL, JP
- [6] High-Throughput Calculations of Molecular Properties in the MedeA Environment: Accuracy of PM7 in Predicting Vibrational Frequencies, Ideal Gas Entropies, Heat Capacities, and Gibbs Free Energies of Organic MoleculesJOURNAL OF CHEMICAL AND ENGINEERING DATA, 2014, 59 (10): : 3136 - 3143Rozanska, XavierStewart, James J. P.Ungerer, PhilippeLeblanc, BenoitFreeman, CliveSaxe, PaulWimmer, Erich
- [7] Computation of methodology-independent single-ion solvation properties from molecular simulations. III. Correction terms for the solvation free energies, enthalpies, entropies, heat capacities, volumes, compressibilities, and expansivities of solvated ionsJOURNAL OF CHEMICAL PHYSICS, 2011, 134 (14):Reif, Maria M.Huenenbergera, Philippe H.