✦ LIBER ✦

An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package

✍ Scribed by Cory C. Pye; Tom Ziegler

Book ID: 105887228
Publisher: Springer
Year: 1999
Tongue: English
Weight: 209 KB
Volume: 101
Category: Article
ISSN: 1432-2234
DOI: 10.1007/s002140050457

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

An implementation of the conductor-like

An implementation of the conductor-like screening model of solvation within the Amsterdam density functional package — Part II. COSMO for real solvents 1

✍ Pye, Cory C.; Ziegler, Tom; van Lenthe, Erik; Louwen, Jaap N. 📂 Article 📅 2009 🏛 NRC Research Press 🌐 French ⚖ 555 KB

The implementation of density functional

The implementation of density functional theory within the polarizable continuum model for solvation

✍ Alessandro Fortunelli; Jacopo Tomasi 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 544 KB

The implementation of density functional theory within the polarizable continuum model for solvation is reported. Test calculations are performed on a set of representative compounds and the resulting free energies of hydration, dGhydrr are compared with experimental data and Hartree-Fock calculatio

Self-Consistent Combination of the Three

Self-Consistent Combination of the Three-Dimensional RISM Theory of Molecular Solvation with Analytical Gradients and the Amsterdam Density Functional Package

✍ Gusarov, Sergey; Ziegler, Tom; Kovalenko, Andriy 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 185 KB

The cavity electromagnetic field within

The cavity electromagnetic field within the polarizable continuum model of solvation: An application to the real-time time dependent density functional theory

✍ Pipolo, Silvio; Corni, Stefano; Cammi, Roberto 📂 Article 📅 2014 🏛 Elsevier 🌐 English ⚖ 857 KB