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Model for aqueous solvation based on class IV atomic charges and first solvation shell effects

机译：基于IV类原子电荷和第一溶剂化壳效应的水溶剂化模型

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Ee C. Chambers; Gregory D. Hawkins; Christopher J. Cramer; Donald G. Truhlar;
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年度 1996
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1. A Universal Solvation Model Based on Class IV Charges and the Intermediate Neglect of Differential Overlap for the Spectroscopy Molecular Orbital Method [J] . Jiabo Li, Tianhai Zhu, Christopher J. Cramer, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2000,第11期

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2. Free Energies of Solvation with Surface, Volume, and Local Electrostatic Effects and Atomic Surface Tensions to Represent the First Solvation Shell [J] . Junjun Liu, Casey P. Kelly, Alan C. Goran Journal of chemical theory and computation: JCTC . 2010,第4期

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3. Preferential solvation and solvation shell composition of free base and protonated 5, 10, 15, 20-tetrakis(4-sulfonatophenyl)porphyrin in aqueous organic mixed solvents [J] . Farajtabar A., Jaberi F., Gharib F. Spectrochimica acta, Part A. Molecular and biomolecular spectroscopy . 2011,第Null期

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5. Implicit solvation models for air-water interfaces and aqueous and nonaqueous solution. [D] . Kelly, Casey Patrick. 2007

机译：空气-水界面以及水溶液和非水溶液的隐式溶剂化模型。
6. Free Energies of Solvation with Surface Volume and Local Electrostatic Effects and Atomic Surface Tensions to Represent the First Solvation Shell [O] . Junjun Liu, Casey P. Kelly, Alan C. Goren, -1

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7. Parametrized models of aqueous free energies of solvation based on pairwise descreening of solute atomic charges from a dielectric medium [O] . Gregory D. Hawkins, Christopher J. Cramer, Donald G. Truhlar 1996

机译：基于电介质介质中溶质原子电荷的成对去筛选的溶剂化水溶自由能参数化模型

Model for aqueous solvation based on class IV atomic charges and first solvation shell effects

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