𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Symmetry-adapted perturbation theory based on density functional theory for noncovalent interactions

✍ Scribed by Jansen, Georg


Book ID
120835819
Publisher
Wiley (John Wiley & Sons)
Year
2013
Tongue
English
Weight
501 KB
Volume
4
Category
Article
ISSN
1759-0876

No coin nor oath required. For personal study only.


πŸ“œ SIMILAR VOLUMES


Inside Cover: Intermolecular Interaction
✍ Dr. Keyarash Sadeghian; Dr. Marco Bocola; Prof. Dr. Martin SchΓΌtz πŸ“‚ Article πŸ“… 2011 πŸ› John Wiley and Sons 🌐 English βš– 635 KB

The interactions of two consecutive pyrimidines in DNA with their adjacent residues decrease under photoinduced reaction to the CPD lesion. DFT-SAPT predicts a loss in the interaction energy of 5.8 kcal mol Γ€1 , mostly due to weakening of Hbonding, as shown on p. 1251 by M. SchΓΌtz et al.