Small Alcohols Revisited: CCSD(T) Relative Potential Energies for the Minima, First- and Second-Order Saddle Points, and Torsion-Coupled Surfaces
Karl N. Kirschner,
Wolfgang Heiden,
Dirk Reith
Affiliations
Karl N. Kirschner
†Department of Computer Science, Bonn-Rhein-Sieg University of Applied Sciences, Sankt Augustin, Germany
Wolfgang Heiden
†Department of Computer Science, Bonn-Rhein-Sieg University of Applied Sciences, Sankt Augustin, Germany
Dirk Reith
‡Department of Electrical Engineering, Mechanical Engineering and Technical Journalism, Bonn-Rhein-Sieg University of Applied Sciences, Sankt Augustin, Germany
