Vibrational Frequencies of Fractionally Charged Molecular Species: Benchmarking DFT Results against ab Initio Calculations
Author:
Affiliation:
1. Theoretische Chemie, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg, Germany
2. Institute of Space Sciences, National Institute of Lasers, Plasma and Radiation Physics, RO 077125 Bucharest-Măgurele, Romania
Funder
Deutsche Forschungsgemeinschaft
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b12946
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1. Molecular Electronics
2. Hopping transport and the Hall effect near the insulator–metal transition in electrochemically gated poly(3-hexylthiophene) transistors
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