Vibrational Frequencies of Fractionally Charged Molecular Species: Benchmarking DFT Results against ab Initio Calculations

Publication type: 
Journal
Autori: 
Baldea, I
Anul: 
2017
DOI: 
http://dx.doi.org/10.1021/acs.jpca.6b12946

Journal data

Journal: 
JOURNAL OF PHYSICAL CHEMISTRY A
Vol.: 
121
Pag.: 
2282 2287