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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