Quantum Wavepacket Ab Initio Molecular Dynamics: An Approach for Computing Dynamically Averaged Vibrational Spectra Including Critical Nuclear Quantum Effects
Author:
Affiliation:
1. Departments of Chemistry and Physics, Indiana University, 800 East Kirkwood Avenue, Bloomington, Indiana 47405
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp074522d
Reference164 articles.
1. Solid acids as fuel cell electrolytes
2. Anhydrous Proton-Conducting Polymers
3. Imidazole and pyrazole-based proton conducting polymers and liquids
4. Proton Transfer in Heterocycle Crystals
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