Public Archive
This is the public archive with unique ID YXJjaGl2ZS1QclRkcFU= .The user-supplied meta data and files are available below.
Archive Meta Data
Owner: /C=DK/ST=NA/L=NA/O=CHEM/OU=NA/CN=Kristian Holten Møller/emailAddress=khm@chem.ku.dkName: Hybridization_of_Nitrogen_Determines_Hydrogen_Bond_Acceptor_Strength_Gas_Phase_Comparison_of_Redshifts_and_Equilibrium_Constants
Description: This archive contains a zip-file of the Gaussian and Molpro output files for the optimized monomers and complexes at the wB97X-D/aug-cc-pVTZ and CCSD(T)-F12a/cc-pVDZ-F12 levels, respectively. The CCSD(T)-F12a/cc-pVDZ-F12 results are available only for methanol-acetonitrile and ethanol-acetonitrile and their monomers, while the wB97X-D/aug-cc-pVTZ results are available for all complexes and monomers.
Date: 2018-01-16 11:00:53.346633
