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26631657,26636198,19366259,19253989,16898764,18816107,26616625,16539512,20419072,26589054,17004748,22734466,26598341,26615693,16480309,26616615,20862433,26615695,18281971,25896299,25456158,25681887,23700392,18671376,18646800,26641117,16356041,22360164,23837915,26609601,21875126,36001344,27462837,21495739,22173939,26579904,19045103,33844315,34347890,23799302,22010694,17744720,23837890,19320524,31382743,16674145,26583868,35678272,21133372,18386862,32216349,26641692,18582013,16599457,26589059,26636201,31478667,30219007,25296782,31318553,23378634,27472101,17014162,12370943,24299013,31657916,26593838,28064081,16851869,31889331,11948588,18512970,25377116,21728337,26588760,22515910,16836448,34291782,23763625,29737546,26616624,27327957,16229602,23223608,23534665,32239035,26395146,21300905,9726412,15565273,21077689,17474726,17536851,25820235,31204418,23382002,21599052,26641515,28379697,32336096,16851394,26723595,34488338,9675177,26589048,31577286,26636202,30500197,29188829,26593002,29561152,29633840,17411115,28992689,26723649,19425558,20150952,20358259,26641896,28430427,27065224,27905594,27992228,28628316,26626529,26610106,26627162,27797196,32061236,24814657,34985890,23567870,20414699,31349123,25398641,1411573,27506245,23781802,26636209,34241354,26583419,26574203,29039666,16392495,26878566,28362490,30709294,26575936,26633199,28875361,26605609,30347161,26605730,34935366,34266282,35588107,21438609,34825676,26254645,26394057,27183036,27782659,24320250,17710449,26929375,30943719,20711513,26877556,17030305,36807356,26588972,26592402,11021543,17030308,28910530,35060986,11053104,26113115,27554666,32931268,26615694,26588292,26615687,29907034,25494789,23212974,34724700,25902015,28456213,27973775,31809056,30159695,22873431,26575733,29127720,26583725,28564543,29096478,26472367,35597646,31026101,28734282,25901455,25691832,18507452,30511855,26631790,27748600,26454252,22815192,27841404,31713251,27131539,34269575,22112067,30358054,27646287,26627022,29907068,26627421,28777589,30682250,34241373,15268613,27662237,26588147,26627947,31433076,26617102,24803871,26580536,1308660,24474161,28968495,32022044,32110289,32941037,20150953,30938846,30990682,36468644,29717314,26583390,26504458,33078930,32302136,30795653,26771105,27434695,26588536,29981547,25830623,33830762,11578232,36806875,17030307,30902001,27585395,27310667,18251538,24622881,25766844,26292974,27004866,32962378,29424528,28786118,28390359,32384839,26584118,34113699,24634616,27270044,32894674,22739063,26595441,33074670,24740419,26574250,28032383,26575917,1768635,26633072,11674005,31568565,15389676,34145237,26593199,16419146,31616882,16392561,26583557,27036423,26786747,28880087,32996504,28201884,30821458,26620333,20354893,34108293,36282904,33393781,1271397,15832498,26588755,33373237,28609105,27073411,26588287,26592264,28800152,24550133,27973833,29481750,33372161,27525362,29120632,21155552,29293342,27322858,26575771,19434923,2414450,32311268,29378124,32649201,26617087,26620482,27384247,22201227,1291630,26620334,20419084,19961159,29125770,7919034,27546004,23020318,16863127,35422122,25296776,17030302,17030306,34379425,23379425,36190170,28527450,36856731,32154979,25382892,29907029,26395020,35018925,34583505,29884053,26617090,32016194,27366886,18654684,26911227,34525302,20300801,24058213,28228041,26863397,35762851,29626900,10423414,27796380,28464413,36253911,26583551,34297022,23913979,26614339,27757978,36971352,32816472,26598266,31403312,11352276,31615249,27111050,27595170,36300819,31589039,26287943,29164898,23304097,26877555,25143658,27001244,28266856,26263083,26605732,26593839,27173101,26606490,26627020,29907040,12027700,36597937,20568843,31509417,33899854,29056756,26620790,19444622,25738773,33588532,28496974,30640468,19275404,28147543,22346739,33539097,30427006,27718270,11970303,31322350,26723603,30628452,26636196,26567655,26589022,34370454,26450304,29357255,32115599,31067910,15884367,34570491,29907065,33072828,28862859,21619532,29438621,18506808,26626387,22666658,34998325,26788746,26616084,26592101,31424068,30769964,26592737,30452112,32838530,28032384,26631663,31343883,12375982,21284393,36317829,27966363,34756051,21765968,36933225,26583236,29419897,26588745,26378499,30067015,26596602,36251007,11542402,33123831,36866644,25868688,28715635,36716408,19202077,26606626,30524069,29510046,36607141,33428425,27782657,33306906,12803811,26613005,31615230,7919044,34197123,26613315,28562042,28762242,30993994,36519338,30307218,11355808,23795491,36625180,16392467,35868919,26376581,26593834,36319876,23345760,30709280,27801446,36677859,33616583,28451364,29356526,19402609,31244115,30159574,33687266,29427330,28612605,16392545,26589064,33147017,27825062,26610139,28695743,19273291,26620182,35969938,29221419,34191512,31927999,31914315,26671385,31042681,33118549,27700067,32566840,20572683,26626847,33546556,33514097,35044781,35748869,2378669,26615940,26847838,28280569,26593672,28035644,36186571,35901512,27369538,26588741,34094413,26596295,26606633,36247683,30316272,36876720,11866610,15715306,34184532,3173715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SM6: A Density Functional Theory Continuum Solvation Model for Calculating Aqueous Solvation Free Energies of Neutrals, Ions, and Solute-Water Clusters.

Kelly CP, Cramer CJ, Truhlar DG. Kelly CP, et al. J Chem Theory Comput. 2005 Nov;1(6):1133-52. doi: 10.1021/ct050164b. J Chem Theory Comput. 2005. PMID: 26631657

Self-Consistent Reaction Field Model for Aqueous and Nonaqueous Solutions Based on Accurate Polarized Partial Charges.

Marenich AV, Olson RM, Kelly CP, Cramer CJ, Truhlar DG. Marenich AV, et al. J Chem Theory Comput. 2007 Nov;3(6):2011-33. doi: 10.1021/ct7001418. J Chem Theory Comput. 2007. PMID: 26636198

Universal solvation model based on solute electron density and on a continuum model of the solvent defined by the bulk dielectric constant and atomic surface tensions.

Marenich AV, Cramer CJ, Truhlar DG. Marenich AV, et al. J Phys Chem B. 2009 May 7;113(18):6378-96. doi: 10.1021/jp810292n. J Phys Chem B. 2009. PMID: 19366259

Performance of SM6, SM8, and SMD on the SAMPL1 test set for the prediction of small-molecule solvation free energies.

Marenich AV, Cramer CJ, Truhlar DG. Marenich AV, et al. J Phys Chem B. 2009 Apr 9;113(14):4538-43. doi: 10.1021/jp809094y. J Phys Chem B. 2009. PMID: 19253989

Aqueous solvation free energies of ions and ion-water clusters based on an accurate value for the absolute aqueous solvation free energy of the proton.

Kelly CP, Cramer CJ, Truhlar DG. Kelly CP, et al. J Phys Chem B. 2006 Aug 17;110(32):16066-81. doi: 10.1021/jp063552y. J Phys Chem B. 2006. PMID: 16898764

Charge-dependent cavity radii for an accurate dielectric continuum model of solvation with emphasis on ions: aqueous solutes with oxo, hydroxo, amino, methyl, chloro, bromo, and fluoro functionalities.

Ginovska B, Camaioni DM, Dupuis M, Schwerdtfeger CA, Gil Q. Ginovska B, et al. J Phys Chem A. 2008 Oct 23;112(42):10604-13. doi: 10.1021/jp804092v. Epub 2008 Sep 25. J Phys Chem A. 2008. PMID: 18816107

Universal Solvation Model Based on the Generalized Born Approximation with Asymmetric Descreening.

Marenich AV, Cramer CJ, Truhlar DG. Marenich AV, et al. J Chem Theory Comput. 2009 Sep 8;5(9):2447-64. doi: 10.1021/ct900312z. Epub 2009 Aug 12. J Chem Theory Comput. 2009. PMID: 26616625

Predicting aqueous free energies of solvation as functions of temperature.

Chamberlin AC, Cramer CJ, Truhlar DG. Chamberlin AC, et al. J Phys Chem B. 2006 Mar 23;110(11):5665-75. doi: 10.1021/jp057264y. J Phys Chem B. 2006. PMID: 16539512

Free Energies of Solvation with Surface, Volume, and Local Electrostatic Effects and Atomic Surface Tensions to Represent the First Solvation Shell.

Liu J, Kelly CP, Goren AC, Marenich AV, Cramer CJ, Truhlar DG, Zhan CG. Liu J, et al. J Chem Theory Comput. 2010 Mar 4;6(4):1109-1117. doi: 10.1021/ct100025j. J Chem Theory Comput. 2010. PMID: 20419072 Free PMC article.

Cluster-Continuum Calculations of Hydration Free Energies of Anions and Group 12 Divalent Cations.

Riccardi D, Guo HB, Parks JM, Gu B, Liang L, Smith JC. Riccardi D, et al. J Chem Theory Comput. 2013 Jan 8;9(1):555-69. doi: 10.1021/ct300296k. Epub 2012 Dec 6. J Chem Theory Comput. 2013. PMID: 26589054

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