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Are the Sublimation Thermodynamics of Organic Molecules Predictable?
J Chem Inf Model. 2016 Nov 28;56(11):2162-2179. doi: 10.1021/acs.jcim.6b00033. Epub 2016 Nov 2.
J Chem Inf Model. 2016.
PMID: 27749062
Free article.
Assessment of Density Functionals for Intramolecular Dispersion-Rich Interactions.
Mourik Tv.
Mourik Tv.
J Chem Theory Comput. 2008 Oct 14;4(10):1610-9. doi: 10.1021/ct800231f.
J Chem Theory Comput. 2008.
PMID: 26620167
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Characterizing the cooperativity in H-bonded amino structures.
Mourik Tv, Dingley AJ.
Mourik Tv, et al.
J Phys Chem A. 2007 Nov 8;111(44):11350-8. doi: 10.1021/jp072379i. Epub 2007 Aug 4.
J Phys Chem A. 2007.
PMID: 17676825
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