Vibrational Properties of Hydrogen-Bonded Systems Using the Multireference Generalization to the “On-the-Fly” Electronic Structure within Quantum Wavepacket ab Initio Molecular Dynamics (QWAIMD)
| Publication | Article in Journal of Chemical Theory and Computation, published May 2014 |
|---|---|
| Authors | Junjie Li, Xiaohu Li, Srinivasan S. Iyengar |
This is the public page for a publication record in Dimensions, a free research insights platform that brings together information about funding, scholarly outputs, policy, patents and grants.
Loading metrics…