Inside Cover: Intermolecular Interactions in Photodamaged DNA from Density Functional Theory Symmetry-Adapted Perturbation Theory (ChemPhysChem 7/2011)

✍ Scribed by Dr. Keyarash Sadeghian; Dr. Marco Bocola; Prof. Dr. Martin Schütz

• Publisher: John Wiley and Sons
• Year: 2011
• Tongue: English
• Weight: 635 KB
• Volume: 12
• Category: Article
• ISSN: 1439-4235
• DOI: 10.1002/cphc.201190035

✦ Synopsis

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 À1 , mostly due to weakening of Hbonding, as shown on p. 1251 by M. Schütz et al.