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.
By Aleksandr V. Marenich, Christopher J. Cramer, Donald G. Truhlar. Journal of Physical Chemistry B, 2009
14,549 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Organic Chemistry, Physical and Theoretical Chemistry
View Paper: https://www.semanticscholar.org/paper/03c994a4d2815bb01b2afbe120b3c46aa1f0211e
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In Atomic and Molecular Physics, and Optics
In Organic Chemistry
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Citations in the corpus
- Insight into the mechanism of ferroptosis inhibition by ferrostatin-1 (2019, methodology): “Afterwards, single point energy calculations were performed at SMD-M06-L/6-311+G(d,p),LanL2DZ//M06-L/631G(d,p),LanL2DZ in gas phase in order to obtain more accurate energy values, and subsequently, at the same level of theory, in benzene and water using the SMD continuum model [34].”