| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5384252 | Chemical Physics Letters | 2011 | 5 Pages |
Abstract
⺠Dispersion corrected DFT for reliable prediction of formamide bulk properties. ⺠Analysis of contributions from weak C-Hâ¯O hydrogen bonds and van-der-Waals interactions to intermolecular binding. ⺠Frequency shifts, atom-in-molecule, natural bond orbitals, and shared-electron number analysis for identification of weak hydrogen bonds.
Related Topics
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Authors
Werner Reckien, Thomas Bredow,