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Mark A. Freitag, Ph.D. - Publications

Affiliations: 
2002 Iowa State University, Ames, IA, United States 
Area:
Quantum Theory
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11 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2014 Freitag MA, Spence A, Van Dooren P. Calculating the H∞-norm using the implicit determinant method Siam Journal On Matrix Analysis and Applications. 35: 619-635. DOI: 10.1137/130933228  0.372
2011 Freitag MA, Spence A. A Newton-based method for the calculation of the distance to instability Linear Algebra and Its Applications. 435: 3189-3205. DOI: 10.1016/j.laa.2011.06.012  0.409
2008 Page TR, Boots CA, Freitag MA. Quantum Chemistry: Restricted Hartree-Fock SCF Calculations Using Microsoft Excel Journal of Chemical Education. 85: 159. DOI: 10.1021/Ed085P159  0.398
2008 Page TP, Boots CA, Freitag MA. Restricted Hartree-Fock SCF calculations using microsoft excel Journal of Chemical Education. 85: 159.  0.333
2007 Freitag MA, Pruden TL, Moody DR, Parker JT, Fallet M. On the keto-enol tautomerization of malonaldehyde: an effective fragment potential study. The Journal of Physical Chemistry. A. 111: 1659-66. PMID 17298039 DOI: 10.1021/Jp065979A  0.456
2004 Freitag MA, Hillman B, Agrawal A, Gordon MS. Predicting shielding constants in solution using gauge invariant atomic orbital theory and the effective fragment potential method. The Journal of Chemical Physics. 120: 1197-202. PMID 15268243 DOI: 10.1063/1.1626629  0.551
2003 Adamovic I, Freitag MA, Gordon MS. Density functional theory based effective fragment potential method Journal of Chemical Physics. 118: 6725-6732. DOI: 10.1063/1.1559912  0.49
2002 Freitag MA, Gordon MS. On the electronic structure of bis(η5-cyclopentadienyl) titanium Journal of Physical Chemistry A. 106: 7921-7926. DOI: 10.1021/Jp0210226  0.44
2001 Sølling TI, Smith DM, Radom L, Freitag MA, Gordon MS. Towards multireference equivalents of the G2 and G3 methods Journal of Chemical Physics. 115: 8758-8772. DOI: 10.1063/1.1411998  0.363
2001 Gordon MS, Freitag MA, Bandyopadhyay P, Jensen JH, Kairys V, Stevens WJ. The effective fragment potential method: A QM-based MM approach to modeling environmental effects in chemistry Journal of Physical Chemistry A. 105: 306-307.  0.451
2000 Freitag MA, Gordon MS, Jensen JH, Stevens WJ. Evaluation of charge penetration between distributed multipolar expansions Journal of Chemical Physics. 112: 7300-7306. DOI: 10.1063/1.481370  0.527
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