MSX Force Field and Vibrational Frequencies for BEDT-TTF (Neutral and Cation)
Author:
Affiliation:
1. Materials and Process Simulation Center, Beckman Institute (139-74), Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp963004s
Reference18 articles.
1. Superconductivity in a synthetic organic conductor (TMTSF)2PF 6
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3. The Central Bond 13C = 13C Isotope Effect for Superconductivity in the High-Tc β*-(ET)2l3 Phase and its Implications Regarding the Superconducting Pairing Mechanism in TTF-Based Organic Superconductors
4. Carbon-13-carbon-13 double bond isotope effect for Tc and consequences regarding the superconducting pairing mechanism in .kappa.-(ET)2X superconductors
5. The isotope effect for superconductivity in high-Tcβ∗-(ET)2I3 with 13C isotopic substitution in the ring and central C=C atoms of bis (ethylenedithio) tetrathiafulvalence (ET)
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1. Effect of chlorine and bromine on the nonlinear optical, electronic, optoelectronic and thermodynamic properties on the BEDT-TTF molecule: ab-initio and DFT calculations;Optical and Quantum Electronics;2021-09-09
2. Ab initio investigation of nonlinear optical, electronic, and thermodynamic properties of BEDT-TTF molecule: doping with boron;Heliyon;2021-07
3. Lattice and Charge Fluctuations in a Molecular Superconductor;Journal of the Physical Society of Japan;2021-06-15
4. Charge Disproportionation and Its Cooling-Rate Dependence in κ-(BEDT-TTF)2CF3SO3;Journal of the Physical Society of Japan;2020-02-15
5. Vibrational Spectra of β″-Type BEDT-TTF Salts: Relationship between Conducting Property, Time-Averaged Site Charge and Inter-Molecular Distance;Crystals;2012-07-06
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