Search Results - "Acree, W.E."

COSMO-RS and LSER models of solution thermodynamics: Towards a COSMO-LSER equation of state model of fluids by Panayiotou, C., Acree, W.E., Zuburtikudis, I.

“…•Critical comparison of solvation-enthalpy prediction of COSMO-RS and LSER models.•LSER extension from quantum-chemical and equation-of-state…”
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Comments concerning “solubility of anthracene in two binary solvents containing toluene” by Jouyban, A., Acree, W.E.

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Prediction of drug solubility in mixed solvents using computed Abraham parameters by Jouyban, A., Soltanpour, Sh, Soltani, S., Tamizi, E., Fakhree, M.A. Abolghassemi, Acree, W.E.

“…Solubilization of drugs/drug candidates is still a challenging area in drug discovery and development investigations which computational methods could play a…”
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Solubility of Pyrene in Binary Alcohol + 1-Propanol and Alcohol + 2-Propanol Solvent Mixtures by Zvaigzne, Anita I, Miller, Brian J, Acree, William E

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Solubility of anthracene in ternary (propanol + heptane + cyclohexane) and (butanol + heptane + cyclohexane) solvent mixtures by Deng, T., Hernández, C.E., Roy, L.E., Acree, Jr, W.E.

“…Experimental solubilities are reported for anthracene dissolved in ternary (1-propanol + heptane + cyclohexane), (2-propanol + heptane + cyclohexane),…”
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Comparison of models for describing multiple peaks in solubility profiles by Jouyban-Gharamaleki, A., Acree, W.E.

“…A model derived from the combined nearly ideal binary solvent/Redlich-Kister equation (CNIBS/R-K) for reproducing the experimental solubility curve in mixed…”
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Prediction of drug solubility in ethanol-ethyl acetate mixtures at various temperatures using the Jouyban-Acree model by Jouyban, A., Acree, W.E.

“…The profile of twenty-six solubility data sets in ethanol-ethyl acetate mixtures at various temperatures were reproduced using a trained version of the…”
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Solubility of Anthracene and Pyrene in Binary Alcohol + Alcohol Solvent Mixtures by Zvaigzne, Anita I, McHale, Mary E. R, Powell, Joyce R, Kauppila, Ann-Sofi M, Acree, William E

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Solubility of Anthracene in Binary Alcohol + 2-Methoxyethanol Solvent Mixtures by McHale, Mary E. R, Powell, Joyce R, Kauppila, Ann-Sofi M, Acree, William E

“…Experimental solubilities are reported for anthracene dissolved in seven binary mixtures containing 2-methoxyethanol with 1-propanol, 2-propanol, 1-butanol,…”
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Standard molar enthalpy of sublimation of crystalline 3-pyridinecarboxylic acid by Ribeiro da Silva, Maria D.M.C., Gonçalves, Jorge M., Acree, Jr, W.E.

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Solubility of Anthracene in Binary Alcohol + 2-Ethyl-1-hexanol Solvent Mixtures by Powell, Joyce R, McHale, Mary E. R, Kauppila, Ann-Sofi M, Otero, Pablo, Jayasekera, Melani, Acree, William E

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Energetic and structural properties of 4-nitro-2,1,3-benzothiadiazole by Ribeiro da Silva, M.D.M.C., Freitas, V.L.S., Vieira, M.A.A., Sottomayor, M.J., Acree, W.E.

“…► Energetics of 4-nitro-2,1,3-benzothiadiazole: experimental computational study. ► ΔfHmo (cr) of 4-nitro-2,1,3-benzothiadiazole was measured by rotating…”
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Thermochemical properties of 4-N,N-dialkylamino-7-nitrobenzofurazan derivatives (alkyl=methyl, ethyl) by Santos, Ana Filipa L.O.M., Silva, Ana L.R., Santiago, Otília D.F., Gonçalves, Jorge M., Pandey, Siddharth, Acree, W.E., Ribeiro da Silva, Maria D.M.C.

“…•Combustion of 4-N,N-dialkylamino-7-nitrobenzofurazan by static bomb calorimetry.•Enthalpies of sublimation of 4-N,N-dialkylamino-7-nitrobenzofurazan.•Gaseous…”
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Comparison of various cosolvency models for calculating solute solubility in water–cosolvent mixtures by Jouyban-Gharamaleki, A., Valaee, L., Barzegar-Jalali, M., Clark, B.J., Acree, W.E.

“…Previously published cosolvency models are critically evaluated in terms of their ability to mathematically correlate solute solubility in binary solvent…”
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Enthalpies of combustion of 4-nitropyridine N-oxide and pyridine-3-carboxylic acid N-oxide: the dissociation enthalpies of the N—O bonds in pyridine N-oxide derivatives by Acree Jr, W.E., Tucker, Sheryl A., Ribeiro da Silva, Maria D.M.C., Agostinha R. Matos, M., Gonçalves, J.M., Ribeiro da Silva, M.A.V., Pilcher, G.

“…The standard ( p° = 0.1 MPa) enthalpies of combustion at the temperature T= 298.15 K were measured by static-bomb calorimetry for crystalline 4-nitropyridine…”
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Computation methodology for determining Abraham solute descriptors from limited experimental data by combining Abraham model and Goss-modified Abraham model correlations by Sprunger, L.M., Proctor, A., Acree, W.E., Abraham, M.H.

“…A new computation methodology is proposed for calculating the Abraham solute descriptors. The proposed method combines correlations based on both the Abraham…”
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Energetics of 6-methoxyquinoline and 6-methoxyquinoline N-oxide: the dissociation enthalpy of the (N–O) bond by Ribeiro da Silva, Maria D.M.C., Santos, Luı́s M.N.B.F., Silva, Ana L.R., Fernandes, Óscar, Acree, W.E.

“…The standard (p o =0.1 MPa) molar enthalpies of formation, at T=298.15 K , were determined using static-bomb calorimetry for crystalline 6-methoxyquinoline…”
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Solubility of sodium diclofenac in binary water + alcohol solvent mixtures at 25°C by Saei, A.A., Jabbaribar, F., Fakhree, M.A.A., Acree, W.E., Jouyban, A.

“…Solubility of sodium diclofenac in aqueous binary mixtures of methanol, ethanol and 2-propanol was determined at 25°C. The maximum solubility of the drug was…”
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Partition Coefficients of Organic Compounds in New Imidazolium and Tetralkylammonium Based Ionic Liquids Using Inverse Gas Chromatography by Mutelet, Fabrice, Revelli, Anne-Laure, Jaubert, Jean-Noël, Sprunger, Laura M, Acree, William E, Baker, Gary A

“…Partition coefficients of 51 organic compounds in two ionic liquids (IL), 1-ethyl-3-methylimidazolium dicyanamide and trimethylhexylammonium…”
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Enthalpies of combustion of 2,2′,6,6′-tetraethylazobenzene N,N-dioxide, 2,4,6-tri(1,1-dimethylethyl)nitrosobenzene, and 2,4,6-tri(1,1-dimethylethyl)nitrobenzene by Acree Jr, W.E., Bott, S.G., Tucker, Sheryl A., Ribeiro da Silva, Maria D.M.C., Matos, M.A.R., Pilcher, G.

“…The standard ( p ∘= 0.1 MPa) molar enthalpies of combustion at the temperature T= 298.15 K were measured by static-bomb calorimetry for crystalline…”
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