✦ LIBER ✦

Electrostatic solvation energy in electrolyte solutions: A self-consistent inhomogeneous continuum model

✍ Scribed by Antonio Raudino; Felice Zuccarello; Giuseppe Buemi

Book ID: 107942292
Publisher: Elsevier Science
Year: 1987
Tongue: English
Weight: 644 KB
Volume: 112
Category: Article
ISSN: 0301-0104
DOI: 10.1016/0301-0104(87)85024-3

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

Self-Consistent-Field Calculation of Pau

Self-Consistent-Field Calculation of Pauli Repulsion and Dispersion Contributions to the Solvation Free Energy in the Polarizable Continuum Model

✍ Amovilli, Claudio; Mennucci, Benedetta 📂 Article 📅 1997 🏛 American Chemical Society 🌐 English ⚖ 188 KB

Improved Density Functional Theory/Elect

Improved Density Functional Theory/Electrostatic Calculation of the His291 Protonation State in Cytochrome c Oxidase: Self-Consistent Charges for Solvation Energy Calculation

✍ Makhov, D. V.; Popović, Dragan M.; Stuchebrukhov, Alexei A. 📂 Article 📅 2006 🏛 American Chemical Society 🌐 English ⚖ 128 KB

Studies of Solvation Free Energies of Me

Studies of Solvation Free Energies of Methylammoniums and Irregular Basicity Ordering of Methylamines in Aqueous Solution by a Combined Discrete-Continuum Model

✍ Cao, Zhiji; Lin, Menghai; Zhang, Qianer; Mo, Yirong 📂 Article 📅 2004 🏛 American Chemical Society 🌐 English ⚖ 74 KB

Absolute solvation free energy of Li[sup

Absolute solvation free energy of Li[sup +] and Na[sup +] ions in dimethyl sulfoxide solution: A theoretical ab initio and cluster-continuum model study

✍ Westphal, Eduard; Pliego, Josefredo R. 📂 Article 📅 2005 🏛 American Institute of Physics 🌐 English ⚖ 322 KB

Conformational properties of a model ala

Conformational properties of a model alanyl dipeptide and of alanine-derived oligopeptides: Effects of solvation in water and in organic solvents—A combined SIBFA/continuum reaction field, ab initio self-consistent field, and density functional theory investigation

✍ Nohad Gresh; Gilles Tiraboschi; Dennis R. Salahub 📂 Article 📅 1998 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 286 KB 👁 2 views

A f/c conformational energy map of a model alanyl dipeptide is first drawn using the SIBFA (Sum of Interactions Between Fragments Ab initio computed) procedure [N. Gresh, P. Claverie and A.

Temperature dependence of activation ene

Temperature dependence of activation energies for self-diffusion of water and of alkali ions in aqueous electrolyte solutions. A model for ion selective behavior of biological cells

✍ Subhash V. Talekar 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 399 KB