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Jonathan M. Mullin, Ph.D. - Publications

Affiliations: 
2009 Chemistry Iowa State University, Ames, IA, United States 
Area:
Quantum Theory
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10 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
2020 Aprà E, Bylaska EJ, de Jong WA, Govind N, Kowalski K, Straatsma TP, Valiev M, van Dam HJJ, Alexeev Y, Anchell J, Anisimov V, Aquino FW, Atta-Fynn R, Autschbach J, Bauman NP, ... ... Mullin JM, et al. NWChem: Past, present, and future. The Journal of Chemical Physics. 152: 184102. PMID 32414274 DOI: 10.1063/5.0004997  0.669
2012 Mullin J, Valley N, Blaber MG, Schatz GC. 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. PMID 22946645 DOI: 10.1021/Jp307003P  0.335
2012 Deshpande A, Sham CH, Alaboson JM, Mullin JM, Schatz GC, Hersam MC. Self-assembly and photopolymerization of sub-2 nm one-dimensional organic nanostructures on graphene. Journal of the American Chemical Society. 134: 16759-64. PMID 22928587 DOI: 10.1021/Ja307061E  0.324
2012 Mullin J, Schatz GC. 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. PMID 22283122 DOI: 10.1021/Jp2087829  0.396
2012 Mullin JM, Autschbach J, Schatz GC. Time-dependent density functional methods for surface enhanced Raman scattering (SERS) studies Computational and Theoretical Chemistry. 987: 32-41. DOI: 10.1016/J.Comptc.2011.08.027  0.387
2009 Mullin JM, Gordon MS. Water and alanine: from puddles(32) to ponds(49). The Journal of Physical Chemistry. B. 113: 14413-20. PMID 19788284 DOI: 10.1021/Jp904826V  0.506
2009 Mullin JM, Roskop LB, Pruitt SR, Collins MA, Gordon MS. Systematic fragmentation method and the effective fragment potential: an efficient method for capturing molecular energies. The Journal of Physical Chemistry. A. 113: 10040-9. PMID 19739681 DOI: 10.1021/Jp9036183  0.6
2009 Mullin JM, Gordon MS. Alanine: then there was water. The Journal of Physical Chemistry. B. 113: 8657-69. PMID 19485320 DOI: 10.1021/Jp901459Y  0.51
2009 Gordon MS, Mullin JM, Pruitt SR, Roskop LB, Slipchenko LV, Boatz JA. Accurate methods for large molecular systems. The Journal of Physical Chemistry. B. 113: 9646-63. PMID 19368406 DOI: 10.1021/Jp811519X  0.55
2008 Shemesh D, Mullin J, Gordon MS, Gerber RB. 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. DOI: 10.1016/J.Chemphys.2007.09.062  0.438
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