๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

Double-hybrid density functionals with long-range dispersion corrections: higher accuracy and extended applicability

โœ Scribed by Schwabe, Tobias; Grimme, Stefan


Book ID
120052920
Publisher
Royal Society of Chemistry
Year
2007
Tongue
English
Weight
875 KB
Volume
9
Category
Article
ISSN
1463-9076

No coin nor oath required. For personal study only.


๐Ÿ“œ SIMILAR VOLUMES


Assessment of density functionals with l
โœ Young Kee Kang; Byung Jin Byun ๐Ÿ“‚ Article ๐Ÿ“… 2010 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 175 KB

## Abstract Density functionals with longโ€range and/or empirical dispersion corrections, including LCโ€ฯ‰PBE, B97โ€D, ฯ‰B97Xโ€D, M06โ€2X, B2PLYPโ€D, and mPW2PLYPโ€D functionals, are assessed for their ability to describe the conformational preferences of Acโ€Alaโ€NHMe (the alanine dipeptide) and Acโ€Proโ€NHMe