Nicholas J. Mayhall
Affiliations: | Virginia Polytechnic and State University, United States |
Area:
Theoretical chemistryGoogle:
"Nicholas Mayhall"Mean distance: 8.7 | S | N | B | C | P |
Parents
Sign in to add mentor| Krishnan Raghavachari | grad student | 2006-2011 | Indiana University | |
| (Developments of composite energy models in quantum chemistry and applications to small molecule activation by transition metal oxide clusters.) | ||||
| Martin Head-Gordon | post-doc | 2011-2015 | UC Berkeley | |
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Publications
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| Mayhall NJ, Head-Gordon M. (2015) Computational Quantum Chemistry for Multiple-Site Heisenberg Spin Couplings Made Simple: Still Only One Spin-Flip Required. The Journal of Physical Chemistry Letters. 6: 1982-8 |
| Mayhall NJ, Head-Gordon M. (2015) Computational Quantum Chemistry for Multiple-Site Heisenberg Spin Couplings Made Simple: Still only One Spin-Flip Required Journal of Physical Chemistry Letters. 6: 1982-1988 |
| Mayhall NJ, Goldey M, Head-Gordon M. (2014) A Quasidegenerate Second-Order Perturbation Theory Approximation to RAS-nSF for Excited States and Strong Correlations. Journal of Chemical Theory and Computation. 10: 589-99 |
| Mayhall NJ, Head-Gordon M. (2014) Computational quantum chemistry for single Heisenberg spin couplings made simple: just one spin flip required. The Journal of Chemical Physics. 141: 134111 |
| Mayhall NJ, Horn PR, Sundstrom EJ, et al. (2014) Spin-flip non-orthogonal configuration interaction: a variational and almost black-box method for describing strongly correlated molecules. Physical Chemistry Chemical Physics : Pccp. 16: 22694-705 |
| Mayhall NJ, Head-Gordon M. (2014) Increasing spin-flips and decreasing cost: Perturbative corrections for external singles to the complete active space spin flip model for low-lying excited states and strong correlation. The Journal of Chemical Physics. 141: 044112 |
| Mayhall NJ, Goldey M, Head-Gordon M. (2014) A quasidegenerate second-order perturbation theory approximation to RAS- n SF for excited states and strong correlations Journal of Chemical Theory and Computation. 10: 589-599 |
| Parker DSN, Wilson AV, Kaiser RI, et al. (2013) On the formation of silacyclopropenylidene (c-SiC2H2) and its role in the organosilicon chemistry in the interstellar medium Astrophysical Journal. 770 |
| Gamoke BC, Mayhall NJ, Raghavachari K. (2012) A Composite Energy Treatment for Sterically Hindered Cluster Models for the Si(100) Surface. Journal of Chemical Theory and Computation. 8: 5132-6 |
| Mayhall NJ, Raghavachari K. (2012) Many-Overlapping-Body (MOB) Expansion: A Generalized Many Body Expansion for Nondisjoint Monomers in Molecular Fragmentation Calculations of Covalent Molecules. Journal of Chemical Theory and Computation. 8: 2669-75 |