Ab initio and analytic intermolecular potentials for Ar–CH3OH
Abstract
Ab initio calculations at the CCSD(T)/aug-cc-pVTZ level of theory were used to characterize the Ar–CH3OH intermolecular potential energy surface (
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* Corresponding authors
a
Department of Chemistry and Biochemistry, Texas Tech University, Lubbock, Texas, USA
E-mail:
bill.hase@ttu.edu
b Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington, USA
c Department of Chemistry, Virginia Tech University, Blacksburg, Virginia, USA
Ab initio calculations at the CCSD(T)/aug-cc-pVTZ level of theory were used to characterize the Ar–CH3OH intermolecular potential energy surface (
U. Tasić, Y. Alexeev, G. Vayner, T. D. Crawford, T. L. Windus and W. L. Hase, Phys. Chem. Chem. Phys., 2006, 8, 4678 DOI: 10.1039/B609743J
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