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Density functional theory and Møller-Plesset studies of hindered rotations of acetone

✍ Scribed by M. Heidari; H. Rahemi; A. Tarashi; S. F. Tayarri


Book ID
106239956
Publisher
Springer-Verlag
Year
2008
Tongue
English
Weight
367 KB
Volume
14
Category
Article
ISSN
1610-2940

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Calculation of weakly polar interaction
✍ József Csontos; Nicholas Y. Palermo; Richard F. Murphy; Sándor Lovas 📂 Article 📅 2008 🏛 John Wiley and Sons 🌐 English ⚖ 342 KB 👁 1 views

## Abstract The interaction energies of ubiquitous weakly polar interactions in proteins are comparable with those of hydrogen bonds, consequently, they stabilize local, secondary, and tertiary structures. However, the most widely‐used density functionals fail to describe the weakly polar interacti