✦ LIBER ✦

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

✍ Scribed by Marenich, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G.

Book ID: 111686810
Publisher: American Chemical Society
Year: 2009
Tongue: English
Weight: 175 KB
Volume: 113
Category: Article
ISSN: 0022-3654
DOI: 10.1021/jp810292n

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Universal Solvation Model Based on Solut

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, Aleksandr V.; Cramer, Christopher J.; Truhlar, Donald G. 📂 Article 📅 2009 🏛 American Chemical Society 🌐 English ⚖ 175 KB

We present a new continuum solvation model based on the quantum mechanical charge density of a solute molecule interacting with a continuum description of the solvent. The model is called SMD, where the "D" stands for "density" to denote that the full solute electron density is used without defining

The strong influence of the solvent on t

The strong influence of the solvent on the electron spin resonance spectra of semiquinone radical anions I. A theoretical investigation of the hyperfine constants of 1,2- and 1,4-benzosemiquinone by using density functional theory and polarizable continuum solvation models

✍ Morten Langgård; Jens Spanget-Larsen 📂 Article 📅 1998 🏛 Elsevier Science 🌐 English ⚖ 655 KB