## 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
Theoretical Investigations into the Blue-Shifting Hydrogen Bond in Benzene Complexes
✍ Scribed by Vladimír Špirko; Pavel Hobza
- Publisher
- John Wiley and Sons
- Year
- 2006
- Tongue
- English
- Weight
- 130 KB
- Volume
- 7
- Category
- Article
- ISSN
- 1439-4235
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