Kriebel M, Heßelmann A, Hennemann M, Clark T (2019)
Publication Type: Journal article
Publication year: 2019
Book Volume: 25
Article Number: 156
Journal Issue: 6
DOI: 10.1007/s00894-019-4038-z
The recently introduced “Feynman” dispersion correction for MNDO (MNDO-F) has been extended to include the elements fluorine, chlorine, bromine and iodine and the original parameterization for hydrogen, carbon, nitrogen and oxygen improved by allowing individual damping radii for the elements. MNDO-F gives a root-mean-square deviation to reference interaction energies of 0.35 kcal mol −1 for the complete parameterization dataset of H, C, N, O, F, Cl, Br and I containing compounds. [Figure not available: see fulltext.].
APA:
Kriebel, M., Heßelmann, A., Hennemann, M., & Clark, T. (2019). The Feynman dispersion correction for MNDO extended to F, Cl, Br and I. Journal of Molecular Modeling, 25(6). https://doi.org/10.1007/s00894-019-4038-z
MLA:
Kriebel, Maximilian, et al. "The Feynman dispersion correction for MNDO extended to F, Cl, Br and I." Journal of Molecular Modeling 25.6 (2019).
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