𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Theoretical determination of the solvation free energy in water and chloroform of the nucleic acid bases

✍ Scribed by Modesto Orozco; Carles Colominas; Francisco J. Luque

Publisher
Elsevier Science
Year
1996
Tongue
English
Weight
844 KB
Volume
209
Category
Article
ISSN
0301-0104

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

Free energies of solvation in chloroform
Free energies of solvation in chloroform and water from a linear response approach
✍ Nora A. McDonald; Heather A. Carlson; William L. Jorgensen πŸ“‚ Article πŸ“… 1997 πŸ› John Wiley and Sons 🌐 English βš– 157 KB

Monte Carlo statistical mechanics simulations were used to compute absolute free energies of solvation in chloroform for 16 organic molecules. The intermolecular interactions were described by classical potential functions consisting of Coulomb and Lennard-Jones interactions. The partial charges for

Molecular mechanical models for organic
Molecular mechanical models for organic and biological systems going beyond the atom centered two body additive approximation: aqueous solution free energies of methanol and N-methyl acetamide, nucleic acid base, and amide hydrogen bonding and chloroform/water partition coefficients of the nucleic acid bases
✍ Piotr Cieplak; James Caldwell; Peter Kollman πŸ“‚ Article πŸ“… 2001 πŸ› John Wiley and Sons 🌐 English βš– 145 KB

## Abstract We have developed a methodology to derive RESP charges for molecular mechanical models that include β€œlone pairs” on lone‐pair donor sites and atom‐centered polarizabilities. This approach uses a very high level __ab initio__ cc‐pVTZ basis set,1 where the multipole moments of the molecul

The thermodynamic effects of exposing nu
The thermodynamic effects of exposing nucleic acid bases to water: Solubility measurements in water and organic solvents
✍ Robert L. Scruggs; Eugene K. Achter; Philip D. Ross πŸ“‚ Article πŸ“… 1972 πŸ› Wiley (John Wiley & Sons) 🌐 English βš– 710 KB

## Abstract In order to examine the thermodynamic effects of exposing nucleic acid bases to water, we have measured the solubility of adenine, cytosine, and uracil in water and in organic solvents as a function of temperature. Transfer of a nucleic acid base from an organic environment into water i