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1 |
Material Type: Article
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Imidazolium Based Ionic Liquids: Unbiased Recovering of Vaporization Enthalpies from Infinite-Dilution Activity CoefficientsMolecules (Basel, Switzerland), 2021-09, Vol.26 (19), p.5873 [Peer Reviewed Journal]2021 by the author. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. ;2021 by the author. 2021 ;ISSN: 1420-3049 ;EISSN: 1420-3049 ;DOI: 10.3390/molecules26195873 ;PMID: 34641417Full text available |
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2 |
Material Type: Article
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Nonequilibrium thermodynamics of non-ideal chemical reaction networksThe Journal of chemical physics, 2021-03, Vol.154 (9), p.094114-094114 [Peer Reviewed Journal]Author(s) ;2021 Author(s). Published under license by AIP Publishing. ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0041225 ;PMID: 33685183 ;CODEN: JCPSA6Full text available |
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3 |
Material Type: Article
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The Donnan potential revealedNature communications, 2022-10, Vol.13 (1), p.5880-5880, Article 5880 [Peer Reviewed Journal]The Author(s) 2022. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License. ;The Author(s) 2022 ;ISSN: 2041-1723 ;EISSN: 2041-1723 ;DOI: 10.1038/s41467-022-33592-3 ;PMID: 36202843Full text available |
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4 |
Material Type: Article
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Learning composition-transferable coarse-grained models: Designing external potential ensembles to maximize thermodynamic informationThe Journal of chemical physics, 2020-10, Vol.153 (15), p.154116-154116 [Peer Reviewed Journal]Author(s) ;2020 Author(s). Published under license by AIP Publishing. ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0022808 ;CODEN: JCPSA6Full text available |
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5 |
Material Type: Article
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Mean ionic activity coefficients in aqueous NaCl solutions from molecular dynamics simulationsThe Journal of chemical physics, 2015-01, Vol.142 (4), p.044507-044507 [Peer Reviewed Journal]ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.4906320 ;PMID: 25637995Full text available |
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6 |
Material Type: Article
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Application of SAFT-VRE in the Flowsheet Simulation of an Advanced PUREX ProcessISSN: 0888-5885 ;EISSN: 1520-5045 ;DOI: 10.1021/acs.iecr.8b05606Digital Resources/Online E-Resources |
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7 |
Material Type: Article
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Simulations of activities, solubilities, transport properties, and nucleation rates for aqueous electrolyte solutionsThe Journal of chemical physics, 2020-07, Vol.153 (1), p.010903-010903 [Peer Reviewed Journal]Author(s) ;2020 Author(s). Published under license by AIP Publishing. ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0012102 ;CODEN: JCPSA6Full text available |
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8 |
Material Type: Article
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UNIFAC model for ionic liquid-CO (H2) systems: An experimental and modeling study on gas solubilityAIChE journal, 2014-12, Vol.60 (12), p.4222-4231 [Peer Reviewed Journal]2014 American Institute of Chemical Engineers ;Copyright American Institute of Chemical Engineers Dec 2014 ;ISSN: 0001-1541 ;EISSN: 1547-5905 ;DOI: 10.1002/aic.14606 ;CODEN: AICEACFull text available |
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9 |
Material Type: Article
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Machine learning for determination of activity of water and activity coefficients of electrolytes in binary solutionsArtificial intelligence chemistry, 2024-06 [Peer Reviewed Journal]Attribution - NonCommercial ;ISSN: 2949-7477 ;EISSN: 2949-7477 ;DOI: 10.1016/j.aichem.2024.100069Digital Resources/Online E-Resources |
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10 |
Material Type: Article
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Communication: Kirkwood-Buff integrals in the thermodynamic limit from small-sized molecular dynamics simulationsThe Journal of chemical physics, 2016-10, Vol.145 (14), p.141103-141103 [Peer Reviewed Journal]Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.4964779 ;PMID: 27782513 ;CODEN: JCPSA6Full text available |
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11 |
Material Type: Article
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Individual ion species chemical potentials in the Mean Spherical ApproximationThe Journal of chemical physics, 2022-06, Vol.156 (24), p.244110-244110 [Peer Reviewed Journal]Author(s) ;2022 Author(s). Published under an exclusive license by AIP Publishing. ;2022 Author(s). 2022 Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0097600 ;PMID: 35778072 ;CODEN: JCPSA6Full text available |
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12 |
Material Type: Article
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Experimental Investigation and Thermodynamic Modeling of Zn+2 and Ni+2 Extraction from Zn Plant Residue using D2EHPAInternational journal of engineering (Tehran), 2023-11, Vol.36 (11), p.2015-2027 [Peer Reviewed Journal]ISSN: 1728-144X ;EISSN: 1735-9244 ;DOI: 10.5829/IJE.2023.36.11B.07Full text available |
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13 |
Material Type: Article
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Activity coefficients of aqueous electrolytes from implicit-water molecular dynamics simulationsThe Journal of chemical physics, 2021-11, Vol.155 (18), p.184501-184501 [Peer Reviewed Journal]Author(s) ;2021 Author(s). Published under an exclusive license by AIP Publishing. ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0064963 ;CODEN: JCPSA6Full text available |
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14 |
Material Type: Article
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A potential model for sodium chloride solutions based on the TIP4P/2005 water modelThe Journal of chemical physics, 2017-09, Vol.147 (10), p.104501-104501 [Peer Reviewed Journal]Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.5001190 ;PMID: 28915761 ;CODEN: JCPSA6Full text available |
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15 |
Material Type: Article
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New Fetal Radiation Doses for ^sup 18^F-FDG Based on Human DataThe Journal of nuclear medicine (1978), 2017-11, Vol.58 (11), p.1865 [Peer Reviewed Journal]Copyright Society of Nuclear Medicine Nov 2017 ;ISSN: 0161-5505 ;EISSN: 1535-5667Full text available |
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16 |
Material Type: Article
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On the transferability of ion parameters to the TIP4P/2005 water model using molecular dynamics simulationsThe Journal of chemical physics, 2020-01, Vol.152 (2), p.024501-024501 [Peer Reviewed Journal]Author(s) ;2020 Author(s). Published under license by AIP Publishing. ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.5124448 ;PMID: 31941316 ;CODEN: JCPSA6Full text available |
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17 |
Material Type: Article
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Differences on the impact of water on the deep eutectic solvents betaine/urea and choline/ureaThe Journal of chemical physics, 2021-07, Vol.155 (3), p.034501-034501 [Peer Reviewed Journal]Author(s) ;2021 Author(s). Published under an exclusive license by AIP Publishing. ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0052303 ;CODEN: JCPSA6Full text available |
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18 |
Material Type: Article
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Extended magnesium and calcium force field parameters for accurate ion–nucleic acid interactions in biomolecular simulationsThe Journal of chemical physics, 2021-05, Vol.154 (17), p.171102-171102 [Peer Reviewed Journal]Author(s) ;2021 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0048113 ;CODEN: JCPSA6Full text available |
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19 |
Material Type: Article
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Evaluation of an imidazolium-based ionic liquid as a separation solvent for binary mixtures based on limiting activity coefficient dataSouth African journal of chemical engineering, 2020-04, Vol.32 (1), p.32-38 [Peer Reviewed Journal]2020 ;ISSN: 1026-9185 ;DOI: 10.1016/j.sajce.2020.01.004Full text available |
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20 |
Material Type: Article
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Modeling food matrix effects on chemical reactivity: Challenges and perspectivesCritical reviews in food science and nutrition, 2018-11, Vol.58 (16), p.2814-2828 [Peer Reviewed Journal]2017 The Author(s). Published with license by Taylor & Francis © Edoardo Capuano, Teresa Oliviero and Martinus A.J.S van Boekel 2017 ;ISSN: 1040-8398 ;EISSN: 1549-7852 ;DOI: 10.1080/10408398.2017.1342595Digital Resources/Online E-Resources |