𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Density functional approximations for classical fluids with long-range interactions

✍ Scribed by A. M. Nyberg; J. K. Percus


Publisher
Springer
Year
1994
Tongue
English
Weight
701 KB
Volume
76
Category
Article
ISSN
0022-4715

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Assessment of density functionals with l
✍ Young Kee Kang; Byung Jin Byun πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 175 KB

## Abstract Density functionals with long‐range and/or empirical dispersion corrections, including LC‐ωPBE, B97‐D, Ο‰B97X‐D, M06‐2X, B2PLYP‐D, and mPW2PLYP‐D functionals, are assessed for their ability to describe the conformational preferences of Ac‐Ala‐NHMe (the alanine dipeptide) and Ac‐Pro‐NHMe