Eric Van Dornshuld
Assistant Clinical Professor
Department of Chemistry
Mississippi State University
Biography
I am a computational chemist with a wide variety of research interests. I was trained under the direction of Prof. Gregory S. Tschumper and have adopted the mantra of “getting the right answer for the right reason”. Consequently, I enjoy finding small molecule systems I can apply accurate, convergent quantum chemistry methods to. I get especially excited when common and relatively inexpensive methodologies (such as density functional approximations) give qualitatively incorrect results. I am also the faculty advisor to the Mississippi State Student Members of the American Chemical Society (SMACS). We do lots of fun stuff.
Interests
- Computational chemistry
- Teaching
- Course/curriculum development
- SMACS
Education
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PhD in Computational Chemistry, 2014
University of Mississippi
-
BS in Chemistry, 2009
University of North Florida
Recent Publications
(2023).
Competition between Solvent···Solvent and Solvent···Solute Interactions in the Microhydration of the Tetrafluoroborate Anion, BF4–(H2O)*nN = 1,2,3,4.
J. Phys. Chem. A, 127, 42 (2023).
(2021).
The curious case of DMSO: A CCSD(T)/CBS(aQ56+d) benchmark and DFT study.
J. Chem. Phys., 155, 114304 (2021).
(2021).
Benchmarking the Fluxional Processes of Organometallic Piano-Stool Complexes.
Molecules, 26 (2310).
(2019).
Co-Localization of DNA i-Motif-Forming Sequences and 5-Hydroxymethyl-cytosines in Human Embryonic Stem Cells.
Molecules, 24 (3619).
(2016).
Big Changes for Small Noncovalent Dimers: Revisiting the Potential Energy Surfaces of (P2)2 and (PCCP)2 with CCSD(T) Optimizations and Vibrational Frequencies.
J. Chem. Theory Comput., 12, 4.
(2014).
Peptide Bond Formation via Glycine Condensation in the Gas Phase.
J. Phys. Chem. B, 118, 29.
(2014).
Homogeneous and Heterogeneous Noncovalent Dimers of Formaldehyde and Thioformaldehyde: Structures, Energetics, and Vibrational Frequencies.
J. Phys. Chem. A, 118.
(2014).
Epigenetic Modification, Dehydration, and Molecular Crowding Effects on the Thermodynamics of i-Motif Structure Formation from C-Rich DNA.
Biochemistry, 53.
(2014).
Characterization of the potential energy surfaces of two small but challenging noncovalent dimers: (P2)2 and (PCCP)2.
J. Comp. Chem., 35.
(2011).
Interstaple Dithiol Cross-Linking in Au25(SR)18 Nanomolecules: A Combined Mass Spectrometric and Computational Study.
J. Am. Chem. Soc., 133, 50.