Jonathan M. Mullin, Ph.D.
Affiliations: | 2009 | Chemistry | Iowa State University, Ames, IA, United States |
Area:
Quantum TheoryGoogle:
"Jonathan Mullin"Mean distance: 9.41 | S | N | B | C | P |
Parents
Sign in to add mentor| Mark S. Gordon | grad student | 2009 | Iowa State | |
| (Slicing, dicing, washing, evolving. All in the name of capturing an electron (or two).) | ||||
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Publications
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| Aprà E, Bylaska EJ, de Jong WA, et al. (2020) NWChem: Past, present, and future. The Journal of Chemical Physics. 152: 184102 |
| Mullin J, Valley N, Blaber MG, et al. (2012) Combined quantum mechanics (TDDFT) and classical electrodynamics (Mie theory) methods for calculating surface enhanced Raman and hyper-Raman spectra. The Journal of Physical Chemistry. A. 116: 9574-81 |
| Deshpande A, Sham CH, Alaboson JM, et al. (2012) Self-assembly and photopolymerization of sub-2 nm one-dimensional organic nanostructures on graphene. Journal of the American Chemical Society. 134: 16759-64 |
| Mullin J, Schatz GC. (2012) Combined linear response quantum mechanics and classical electrodynamics (QM/ED) method for the calculation of surface-enhanced Raman spectra. The Journal of Physical Chemistry. A. 116: 1931-8 |
| Mullin JM, Autschbach J, Schatz GC. (2012) Time-dependent density functional methods for surface enhanced Raman scattering (SERS) studies Computational and Theoretical Chemistry. 987: 32-41 |
| Mullin JM, Gordon MS. (2009) Water and alanine: from puddles(32) to ponds(49). The Journal of Physical Chemistry. B. 113: 14413-20 |
| Mullin JM, Roskop LB, Pruitt SR, et al. (2009) Systematic fragmentation method and the effective fragment potential: an efficient method for capturing molecular energies. The Journal of Physical Chemistry. A. 113: 10040-9 |
| Mullin JM, Gordon MS. (2009) Alanine: then there was water. The Journal of Physical Chemistry. B. 113: 8657-69 |
| Gordon MS, Mullin JM, Pruitt SR, et al. (2009) Accurate methods for large molecular systems. The Journal of Physical Chemistry. B. 113: 9646-63 |
| Shemesh D, Mullin J, Gordon MS, et al. (2008) Vibrational spectroscopy for glycine adsorbed on silicon clusters: Harmonic and anharmonic calculations for models of the Si(1 0 0)-2 × 1 surface Chemical Physics. 347: 218-228 |