A polarizable, four-point-charge model of water with size variation
✍ Scribed by András Baranyai
- Publisher
- Elsevier Science
- Year
- 2009
- Tongue
- English
- Weight
- 483 KB
- Volume
- 148
- Category
- Article
- ISSN
- 0167-7322
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
## Abstract A simultaneous improvement of the diffusion and dielectric properties of the simple point charge (SPC) model for liquid water appears to be very difficult with conventional reparametrization of the commonly used Lennard–Jones and Coulomb interaction functions and without including a sel
## Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable v
Potential derived (PD) point charges and segmental multipole moments are calculated for water, uracil, thymine, and cytosine using STO-3G quality wave functions. The PD point charges are used to estimate the electrostatic interaction energies for a series of complexes of water with these nucleic aci