Isaiah Shavitt, Ph.D.

Chemistry Ohio State University, Columbus, Columbus, OH 
Computational quantum chemistry
"Isaiah Shavitt"

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Lischka H, Müller T, Szalay PG, et al. (2011) Columbus-a program system for advanced multireference theory calculations Wiley Interdisciplinary Reviews: Computational Molecular Science. 1: 191-199
Shavitt I. (2011) Perspective: Björn roos and direct configuration interaction International Journal of Quantum Chemistry. 111: 3263-3266
Quinn JR, Zimmerman SC, Del Bene JE, et al. (2009) Prebiotic selection of the AT base-pair? A physical organic approach to understanding AT base-pair stability indicates special stability (1,2) Acs Symposium Series. 1025: 95-107
Shavitt I, Bartlett RJ. (2009) Many – body methods in chemistry and physics: MBPT and coupled-cluster theory Many - Body Methods in Chemistry and Physics: Mbpt and Coupled-Cluster Theory. 1-532
Shepard R, Kedziora GS, Lischka H, et al. (2008) The accuracy of molecular bond lengths computed by multireference electronic structure methods Chemical Physics. 349: 37-57
Quinn JR, Zimmerman SC, Del Bene JE, et al. (2007) Does the A.T or G.C base-pair possess enhanced stability? Quantifying the effects of CH...O interactions and secondary interactions on base-pair stability using a phenomenological analysis and ab initio calculations. Journal of the American Chemical Society. 129: 934-41
Shavitt I. (2004) Are exponential-type basis sets preferable to Gaussians? International Journal of Quantum Chemistry. 100: 105-108
Kuo JL, Ciobanu CV, Ojamäe L, et al. (2003) Short H-bonds and spontaneous self-dissociation in (H2O)20: Effects of H-bond topology Journal of Chemical Physics. 118: 3583-3588
Shepard R, Shavitt I, Lischka H. (2002) Reducing I/O costs for the eigenvalue procedure in large-scale configuration interaction calculations. Journal of Computational Chemistry. 23: 1121-5
Shavitt I. (2002) Multi-state multireference Rayleigh-Schrödinger perturbation theoryfor mixed electronic states: Second and third order International Journal of Molecular Sciences. 3: 639-655
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