Michael J. Frisch
Affiliations: | Gaussian Inc. |
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Publications
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| Zulueta B, Tulyani SV, Westmoreland PR, et al. (2022) A Bond-Energy/Bond-Order and Populations Relationship. Journal of Chemical Theory and Computation |
| Gordon MS, Gano DR, Binkley JS, et al. (2012) Thermal decomposition of silane. Journal of the American Chemical Society. 108: 2191-5 |
| Hratchian HP, Krukau AV, Parandekar PV, et al. (2012) Erratum: “QM:QM embedding using electronic densities within an ONIOM framework: Energies and analytic gradients” [J. Chem. Phys. 135, 014105 (2011)] The Journal of Chemical Physics. 136: 019902 |
| Hratchian HP, Krukau AV, Parandekar PV, et al. (2011) QM:QM embedding using electronic densities within an ONIOM framework: energies and analytic gradients. The Journal of Chemical Physics. 135: 014105 |
| Labat F, Ciofini I, Hratchian HP, et al. (2011) Insights into working principles of ruthenium polypyridyl dye-sensitized solar cells from first principles modeling Journal of Physical Chemistry C. 115: 4297-4306 |
| Hratchian HP, Frisch MJ, Schlegel HB. (2010) Steepest descent reaction path integration using a first-order predictor-corrector method. The Journal of Chemical Physics. 133: 224101 |
| Caricato M, Vreven T, Trucks GW, et al. (2010) Link atom bond length effect in ONIOM excited state calculations. The Journal of Chemical Physics. 133: 054104 |
| Head-Gordon M, Pople JA, Frisch MJ. (2009) Quadratically convergent simultaneous optimization of wavefunction and geometry International Journal of Quantum Chemistry. 36: 291-303 |
| Head-Gordon T, Head-Gordon M, Frisch MJ, et al. (2009) A theoretical study of alanine dipeptide and analogs International Journal of Quantum Chemistry. 36: 311-322 |
| Binkley JS, Frisch MJ. (2009) ab initio determination of bond dissociation energies: The first-row diatomics co, N2, NO, O2, and F2 International Journal of Quantum Chemistry. 24: 331-337 |