Comparison of the proton-transfer paths in hydrogen bonds from theoretical potential-energy surfaces and the concept of conservation of bond order III. O–H–O hydrogen bonds
Abstract
The quantum-mechanically derived reaction coordinates (
* Corresponding authors
a
Faculty of Chemistry, University of Wroclaw, Joliot-Curie 14, 50-383 Wroclaw, Poland
E-mail:
majerz@yahoo.com
b Department of Materials Chemistry, Ångström Laboratory, Box 538, SE-75121 Uppsala, Sweden
The quantum-mechanically derived reaction coordinates (
I. Majerz and I. Olovsson, Phys. Chem. Chem. Phys., 2010, 12, 5462 DOI: 10.1039/B925489G
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