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Quantum chemical effects like group-group interactions, mesomeric effects and inductive effects also are incorporated into COSMO-RS by this approach. The COSMO-RS method was first published in 1995 by A. Klamt. [1] A refined version of COSMO-RS was published in 1998 [5] and is the basis for newer developments and reimplementations. [6] [7] [8 ...
COSMO [1] [2] (COnductor-like Screening MOdel) is a calculation method for determining the electrostatic interaction of a molecule with a solvent. COSMO is a dielectric continuum model [ 1 ] [ 3 ] [ 4 ] [ 5 ] (a.k.a. continuum solvation model).
COSMOSPACE (COSMO Surface-Pair Activity Coefficient Equation) is an activity coefficient model in which the activity coefficient of the components in a liquid chemical mixture can be related through their molar fraction. [1] It was initially developed as an implicit solution to COSMO-RS.
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The Lambda-CDM, Lambda cold dark matter, or ΛCDM model is a mathematical model of the Big Bang theory with three major components: . a cosmological constant, denoted by lambda (Λ), associated with dark energy;
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Two types of PCMs have been popularly used: the dielectric PCM (D-PCM), in which the continuum is polarizable (see dielectrics), and the conductor-like PCM (C-PCM), in which the continuum is conductor-like, similar to the COSMO Solvation Model. [1] [2] The molecular free energy of solvation is computed as the sum of three terms: G sol = G es ...
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