Hanna Kjær

Summary

Country: Denmark

Publications

  1. ncbi request reprint Benchmarking NMR indirect nuclear spin-spin coupling constants: SOPPA, SOPPA(CC2), and SOPPA(CCSD) versus CCSD
    Hanna Kjaer
    Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK 2100 Copenhagen Ø, Denmark
    J Chem Phys 133:144106. 2010
  2. ncbi request reprint Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: Applications to the shielding constants of N-methylacetamide
    Hanna Kjær
    Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK 2100, Copenhagen O, DenmarkDepartment of Physics and Chemistry, University of Southern Denmark, Campusvej 55, DK 5230 Odense M, Denmark
    J Chem Phys 134:044514. 2011

Collaborators

  • Hanna Kjaer
  • Jacob Kongsted
  • Stephan P A Sauer

Detail Information

Publications2

  1. ncbi request reprint Benchmarking NMR indirect nuclear spin-spin coupling constants: SOPPA, SOPPA(CC2), and SOPPA(CCSD) versus CCSD
    Hanna Kjaer
    Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK 2100 Copenhagen Ø, Denmark
    J Chem Phys 133:144106. 2010
    ..The results of the corresponding CCSD calculations are used as a theoretical reference...
  2. ncbi request reprint Benchmarking the multipole shielding polarizability/reaction field approach to solvation against QM/MM: Applications to the shielding constants of N-methylacetamide
    Hanna Kjær
    Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK 2100, Copenhagen O, DenmarkDepartment of Physics and Chemistry, University of Southern Denmark, Campusvej 55, DK 5230 Odense M, Denmark
    J Chem Phys 134:044514. 2011
    ....