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A Density Functional with Spherical Atom Dispersion Terms.
J Chem Theory Comput. 2012 Dec 11;8(12):4989-5007. doi: 10.1021/ct300778e. Epub 2012 Nov 5.
J Chem Theory Comput. 2012.
PMID: 26593191
Three-Body Dispersion Corrections to the Spherical Atom Model: The PFD-3B Density Functional.
Petersson GA, Frisch MJ, Dobek F, Zulueta B.
Petersson GA, et al.
J Phys Chem A. 2020 Dec 10;124(49):10296-10311. doi: 10.1021/acs.jpca.0c05940. Epub 2020 Nov 24.
J Phys Chem A. 2020.
PMID: 33232148
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Evaluation of the heats of formation of corannulene and C60 by means of inexpensive theoretical procedures.
Dobek FJ, Ranasinghe DS, Throssell K, Petersson GA.
Dobek FJ, et al.
J Phys Chem A. 2013 Jun 6;117(22):4726-30. doi: 10.1021/jp404158v. Epub 2013 May 28.
J Phys Chem A. 2013.
PMID: 23675698
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