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Material Type: Article
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Erratum: “On the solvation of the phosphocholine headgroup in an aqueous propylene glycol solution” [J. Chem. Phys. 148, 135102 (2018)]The Journal of chemical physics, 2019-04, Vol.150 (15), p.159901-159901 [Peer Reviewed Journal]Author(s) ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.5091595 ;PMID: 31005121 ;CODEN: JCPSA6Full text available |
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Material Type: Article
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Erratum: “Confinement effects on the solvation structure of solvated alkaline metal cations in a single-digit 1T-MoS2 nanochannel: A first-principles study” [J. Chem. Phys. 154, 164706 (2021)]The Journal of chemical physics, 2021-05, Vol.154 (20), p.209903-209903 [Peer Reviewed Journal]Author(s) ;2021 Author(s). Published under license by AIP Publishing. ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/5.0056265 ;CODEN: JCPSA6Full text available |
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Material Type: Article
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Speedy at the surfaceNature reviews. Chemistry, 2022-05, Vol.6 (5), p.302-302 [Peer Reviewed Journal]Springer Nature Limited 2022. ;ISSN: 2397-3358 ;EISSN: 2397-3358 ;DOI: 10.1038/s41570-022-00390-w ;PMID: 37117933Full text available |
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Material Type: Article
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Role of inner solvation sheath within salt–solvent complexes in tailoring electrode/electrolyte interphases for lithium metal batteriesProceedings of the National Academy of Sciences - PNAS, 2020-11, Vol.117 (46), p.28603-28613 [Peer Reviewed Journal]Copyright National Academy of Sciences Nov 17, 2020 ;2020 ;ISSN: 0027-8424 ;EISSN: 1091-6490 ;DOI: 10.1073/pnas.2010852117 ;PMID: 33144505Full text available |
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5 |
Material Type: Article
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Implicit and explicit solvent models for modeling a bifunctional arene ruthenium hydrogen-storage catalyst: A classical and ab initio molecular simulation studyJournal of computational chemistry, 2014-04, Vol.35 (9), p.683-691 [Peer Reviewed Journal]Copyright © 2014 Wiley Periodicals, Inc. ;Copyright Wiley Subscription Services, Inc. Apr 5, 2014 ;ISSN: 0192-8651 ;EISSN: 1096-987X ;DOI: 10.1002/jcc.23514 ;PMID: 24391060 ;CODEN: JCCHDDFull text available |
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Material Type: Article
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Characterization of solute-solvent interactions in liquid chromatography systems: A fast method based on Abraham's linear solvation energy relationshipscc-by-nc-nd (c) Redón, Lídia, et al., 2023 https://creativecommons.org/licenses/by-nc-nd/4.0/ info:eu-repo/semantics/openAccess ;ISSN: 0003-2670 ;EISSN: 1873-4324 ;DOI: 10.1016/j.aca.2023.341672Digital Resources/Online E-Resources |
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7 |
Material Type: Article
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Prediction of toluene/water partition coefficients in the SAMPL9 blind challenge: assessment of machine learning and IEF-PCM/MST continuum solvation models(c) Zamora, W. J. et al., 2023 info:eu-repo/semantics/embargoedAccess ;ISSN: 1463-9076 ;EISSN: 1463-9084 ;DOI: 10.1039/d3cp01428bDigital Resources/Online E-Resources |
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8 |
Material Type: Article
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Solvation at metal/water interfaces: An ab initio molecular dynamics benchmark of common computational approachesThe Journal of chemical physics, 2020-04, Vol.152 (14), p.144703-144703 [Peer Reviewed Journal]Author(s) ;2020 Author(s). Published under license by AIP Publishing. ;ISSN: 0021-9606 ;EISSN: 1089-7690 ;DOI: 10.1063/1.5144912 ;PMID: 32295363 ;CODEN: JCPSA6Full text available |
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Material Type: Article
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OPLS3e: Extending Force Field Coverage for Drug-Like Small MoleculesJournal of chemical theory and computation, 2019-03, Vol.15 (3), p.1863 [Peer Reviewed Journal]ISSN: 1549-9618 ;ISSN: 1549-9626 ;EISSN: 1549-9626 ;DOI: 10.1021/acs.jctc.8b01026Digital Resources/Online E-Resources |
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10 |
Material Type: Article
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Structural regulation chemistry of lithium ion solvation for lithium batteriesEcoMat (Beijing, China), 2022-07, Vol.4 (4), p.n/a [Peer Reviewed Journal]2022 The Authors. published by The Hong Kong Polytechnic University and John Wiley & Sons Australia, Ltd. ;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. ;ISSN: 2567-3173 ;EISSN: 2567-3173 ;DOI: 10.1002/eom2.12200Full text available |
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11 |
Material Type: Article
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Modeling Differential Enthalpy of Absorption of CO2 with Piperazine as a Function of TemperatureNavngivelse 4.0 Internasjonal Copyright © 2022 The Authors. Published by American Chemical Society ;ISSN: 1520-6106 ;EISSN: 1520-5207 ;DOI: 10.1021/acs.jpcb.1c10755Digital Resources/Online E-Resources |
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12 |
Material Type: Article
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Correction: Structure and solvation of confined water and water-ethanol clusters within microporous Brønsted acids and their effects on ethanol dehydration catalysisChemical science (Cambridge), 2020-08, Vol.11 (31), p.8323-8324 [Peer Reviewed Journal]Copyright Royal Society of Chemistry 2020 ;ISSN: 2041-6520 ;EISSN: 2041-6539 ;DOI: 10.1039/d0sc90162hFull text available |
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13 |
Material Type: Article
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Effects of fluorinated solvents on electrolyte solvation structures and electrode/electrolyte interphases for lithium metal batteriesProceedings of the National Academy of Sciences - PNAS, 2021-03, Vol.118 (9) [Peer Reviewed Journal]2021 ;ISSN: 0027-8424 ;EISSN: 1091-6490 ;DOI: 10.1073/pnas.2020357118 ;PMID: 33632763Full text available |
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14 |
Material Type: Article
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Composition of the Solvation Shell of the Selected Cyclic Ethers (1,4-Dioxane, 12-Crown-4, 15-Crown-5 and 18-Crown-6) in a Mixture of Formamide with Water at Four TemperaturesMolecules (Basel, Switzerland), 2023-02, Vol.28 (5), p.2169 [Peer Reviewed Journal]COPYRIGHT 2023 MDPI AG ;2023 by the authors. 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. ;2023 by the authors. 2023 ;ISSN: 1420-3049 ;EISSN: 1420-3049 ;DOI: 10.3390/molecules28052169 ;PMID: 36903417Full text available |
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15 |
Material Type: Article
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Are Mixed Explicit/Implicit Solvation Models Reliable for Studying Phosphate Hydrolysis? A Comparative Study of Continuum, Explicit and Mixed Solvation ModelsChemphyschem, 2009-05, Vol.10 (7), p.1125-1134 [Peer Reviewed Journal]Copyright © 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim ;2009 INIST-CNRS ;ISSN: 1439-4235 ;EISSN: 1439-7641 ;DOI: 10.1002/cphc.200800753 ;PMID: 19301306Full text available |
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16 |
Material Type: Article
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Estimation of Solvation Quantities from Experimental Thermodynamic Data: Development of the Comprehensive CompSol Databank for Pure and Mixed SolutesJournal of physical and chemical reference data, 2017-09, Vol.46 [Peer Reviewed Journal]Distributed under a Creative Commons Attribution 4.0 International License ;ISSN: 0047-2689 ;EISSN: 1529-7845 ;DOI: 10.1063/1.5000910Digital Resources/Online E-Resources |
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17 |
Material Type: Article
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Editorial of virtual special issue Frontiers in Water Biophysics 2017cc-by-nc-nd (c) Elsevier B.V., 2019 http://creativecommons.org/licenses/by-nc-nd/3.0/es info:eu-repo/semantics/openAccess ;ISSN: 0167-7322 ;EISSN: 1873-3166 ;DOI: 10.1016/j.molliq.2019.111298Digital Resources/Online E-Resources |
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18 |
Material Type: Article
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Coupling dual metal active sites and low-solvation architecture toward high-performance aqueous ammonium-ion batteriesProceedings of the National Academy of Sciences - PNAS, 2022-12, Vol.119 (50), p.e2214545119-e2214545119 [Peer Reviewed Journal]Copyright National Academy of Sciences Dec 13, 2022 ;Copyright © 2022 the Author(s). Published by PNAS. 2022 ;ISSN: 0027-8424 ;EISSN: 1091-6490 ;DOI: 10.1073/pnas.2214545119 ;PMID: 36472961Full text available |
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19 |
Material Type: Article
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Regulation of anion-Na + coordination chemistry in electrolyte solvates for low-temperature sodium-ion batteriesProceedings of the National Academy of Sciences - PNAS, 2024-01, Vol.121 (5), p.e2316914121-e2316914121 [Peer Reviewed Journal]Copyright National Academy of Sciences Jan 30, 2024 ;ISSN: 0027-8424 ;EISSN: 1091-6490 ;DOI: 10.1073/pnas.2316914121 ;PMID: 38252828Full text available |
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20 |
Material Type: Article
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Water‐mediated interactions destabilize proteinsProtein science, 2021-10, Vol.30 (10), p.2132-2143 [Peer Reviewed Journal]2021 The Authors. published by Wiley Periodicals LLC on behalf of The Protein Society. ;2021 The Authors. Protein Science published by Wiley Periodicals LLC on behalf of The Protein Society. ;2021. This article 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. ;ISSN: 0961-8368 ;EISSN: 1469-896X ;DOI: 10.1002/pro.4168 ;PMID: 34382697Full text available |