Benchmarking the multipole shielding polarizability / reaction field approach to solvation against QM/MM. Applications to the shielding constants of N-methylacetamide

Research output: Contribution to journalJournal articleResearchpeer-review

Hanna Kjær, Stephan P. A. Sauer, Jacob Kongsted

Original languageEnglish
JournalJournal of Chemical Physics
Volume134
Issue number4
Pages (from-to)044514
Number of pages11
ISSN0021-9606
DOIs
Publication statusPublished - 25 Jan 2011

ID: 32245427