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Kari L. Copeland, Ph.D.

Affiliations: 
2012 Chemistry The University of Mississippi, USA 
Area:
Physical Chemistry
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"Kari Copeland"
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Gregory S. Tschumper grad student 2012 The University of Mississippi
 (On the nature of weak intermolecular forces: A first principles approach to hydrogen bonding and pi-type interactions.)

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Publications

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Veals JD, Poland KN, Earwood WP, et al. (2017) MRMP2, CCSD(T) and DFT Calculations of the Isomerization Barriers for the Disrotatory and Conrotatory Isomerizations of 3- Aza-3-Ium-Dihydrobenzvalene, 3, 4-Diaza-3-Ium-Dihydrobenzvalene and 3, 4-Diaza-Diium-Dihydrobenzvalene. The Journal of Physical Chemistry. A
Copeland KL, Pellock SJ, Cox JR, et al. (2013) Examination of tyrosine/adenine stacking interactions in protein complexes Journal of Physical Chemistry B. 117: 14001-14008
Copeland KL, Tschumper GS. (2012) Effects of Heterogeneity in Small π-Type Dimers: Homogeneous and Mixed Dimers of Diacetylene and Cyanogen. Journal of Chemical Theory and Computation. 8: 4279-4284
Copeland KL, Tschumper GS. (2012) Hydrocarbon/Water Interactions: Encouraging Energetics and Structures from DFT but Disconcerting Discrepancies for Hessian Indices. Journal of Chemical Theory and Computation. 8: 1646-56
Copeland KL, Tschumper GS. (2012) Effects of heterogeneity in small π-type dimers: Homogeneous and mixed dimers of diacetylene and cyanogen Journal of Chemical Theory and Computation. 8: 4279-4284
Copeland KL, Tschumper GS. (2012) Hydrocarbon/water interactions: Encouraging energetics and structures from dft but disconcerting discrepancies for hessian indices Journal of Chemical Theory and Computation. 8: 1646-1656
Elsohly AM, Hopkins BW, Copeland KL, et al. (2009) Anchoring the potential energy surface of the diacetylene dimer Molecular Physics. 107: 923-928
Copeland KL, Anderson JA, Farley AR, et al. (2008) Probing phenylalanine/adenine pi-stacking interactions in protein complexes with explicitly correlated and CCSD(T) computations. The Journal of Physical Chemistry. B. 112: 14291-5
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