Solvation

 

Extension of the MST continuum solvation model to the RM1 semiempirical Hamiltonian

Author(s): Forti F (Forti, Flavio)1,2, Barril X (Barril, Xavier)1,2,3, Luque FJ (Luque, F. Javier)1,2, Orozco M (Orozco, Modesto)
Publication year: 2008
Journal / Book title: JOURNAL OF COMPUTATIONAL CHEMISTRY

Excerpt from the article:

 

Thermo-Solvatochromism of Merocyanine Polarity Probes - What Are the Consequences of Increasing Probe Lipophilicity through Annelation?

Authors: Clarissa T. Martins, Michelle S. Lima, Erick L. Bastos, Omar A. El Seoud
Publication year: 2008
Journal / Book title: European Journal of Organic Chemistry

Excerpt from the article:

rm1 solvation solvatochromism

 

Linear free energy relationships of half-wave reduction potentials of (E)-4-aryl-4-oxo-2-butenoic acids

Authors: Ferenc T. Pastora and Branko J. Drakulić
Publication year: 2010
Journal / Book title: Tetrahedron Letters

Excerpt from the article:

qsar rm1