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Anti-Hydrogen Bond in the Benzene Dimer and Other Carbon Proton Donor Complexes

✍ Scribed by Hobza, Pavel; Špirko, Vladimír; Selzle, Heinrich L.; Schlag, Edward W.

Book ID
121085959
Publisher
American Chemical Society
Year
1998
Tongue
English
Weight
56 KB
Volume
102
Category
Article
ISSN
1089-5639

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Blue-shifting hydrogen bond in the benze
Blue-shifting hydrogen bond in the benzene–benzene and benzene–naphthalene complexes
✍ Jose M. Hermida-Ramón; Ana M. Graña 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 208 KB

## Abstract __Ab initio__ complete optimizations at MP2/6‐31++G\*\* level have been performed in the T‐shaped geometry of the benzene–benzene and benzene–naphthalene complexes. To check the effect of the basis set superposition error (BSSE), optimizations have been done in the BSSE corrected and BS