TitaniQ under pressure: the effect of pressure and temperature on the solubility of Ti in quartz JB Thomas, E Bruce Watson, FS Spear, PT Shemella, SK Nayak, ... Contributions to Mineralogy and Petrology 160 (5), 743-759, 2010 | 494 | 2010 |
Electronic structure and band-gap modulation of graphene via substrate surface chemistry P Shemella, SK Nayak Applied Physics Letters 94 (3), 2009 | 218 | 2009 |
Energy gaps in zero-dimensional graphene nanoribbons P Shemella, Y Zhang, M Mailman, PM Ajayan, SK Nayak Applied Physics Letters 91 (4), 2007 | 179 | 2007 |
Highly Conserved Histidine Plays a Dual Catalytic Role in Protein Splicing: A pKa Shift Mechanism Z Du, PT Shemella, Y Liu, SA McCallum, B Pereira, SK Nayak, G Belfort, ... Journal of the American Chemical Society 131 (32), 11581-11589, 2009 | 84 | 2009 |
Mechanism for intein C-terminal cleavage: a proposal from quantum mechanical calculations P Shemella, B Pereira, Y Zhang, P Van Roey, G Belfort, S Garde, ... Biophysical journal 92 (3), 847-853, 2007 | 51 | 2007 |
Spontaneous proton transfer to a conserved intein residue determines on-pathway protein splicing B Pereira, PT Shemella, G Amitai, G Belfort, SK Nayak, M Belfort Journal of molecular biology 406 (3), 430-442, 2011 | 29 | 2011 |
Electronic structure of neighboring extein residue modulates intein C-terminal cleavage activity PT Shemella, NI Topilina, I Soga, B Pereira, G Belfort, M Belfort, SK Nayak Biophysical journal 100 (9), 2217-2225, 2011 | 25 | 2011 |
Understanding the Self-Healing Hydrophobic Recovery of High-Voltage Insulators PT Shemella, T Laino, O Fritz, A Curioni The Journal of Physical Chemistry B, 2012 | 13 | 2012 |
Molecular motion of amorphous silicone polymers PT Shemella, T Laino, O Fritz, A Curioni The Journal of Physical Chemistry B 115 (12), 2831-2835, 2011 | 8 | 2011 |
Surface dynamics of amorphous polymers used for high-voltage insulators PT Shemella, T Laino, O Fritz, A Curioni The Journal of Physical Chemistry B 115 (46), 13508-13512, 2011 | 6 | 2011 |
First principles study of intein reaction mechanisms P Shemella arXiv preprint arXiv:0903.4570, 2009 | 3 | 2009 |
Identifying the reaction mechanisms of inteins with QM/MM multiscale methods PT Shemella, SK Nayak Computational Modeling in Biomechanics, 469-489, 2010 | 1 | 2010 |
Graphene on silicon dioxide: band gap modulation via substrate surface chemistry P Shemella, SK Nayak APS March Meeting Abstracts, Z25. 005, 2009 | 1 | 2009 |
Electronic structure and band-gap modulation of graphene via substrate surface chemistry Year 2009 Journal Applied Physics Letters Volume 94 Pages 3 P Shemella, SK Nayak Applied Physics Letters 94, 3, 2009 | 1 | 2009 |
Approaches for improving students' understanding of quantum mechanics RB Griffiths Physics Today 60 (3), 8-10, 2007 | 1 | 2007 |
The Physics of Babies P Shemella APS March Meeting Abstracts 2013, F38. 012, 2013 | | 2013 |
Surface Dynamics and Hydrophobicity of High-Voltage Insulator Polymers O Fritz, PT Shemella, T Laino, A Curioni MRS Online Proceedings Library (OPL) 1535, mmm2012-a-0336, 2013 | | 2013 |
Doping in Si/SiO2 Structures: A first-principles metadynamics study N Lanzillo, P Shemella, S Nayak, W Andreoni, A Curioni APS March Meeting Abstracts 2012, H28. 003, 2012 | | 2012 |
All-atom molecular dynamics simulations of amorphous, crosslinked PDMS PT Shemella, T Laino, O Fritz, A Curioni APS March Meeting Abstracts 2010, V17. 012, 2010 | | 2010 |
Effect of Shape on Electronic and Magnetic Properties of Graphene Nanoribbons (GNRs) AK Dearden, P Shemella, PM Ajayan, SK Nayak APS March Meeting Abstracts, X25. 004, 2009 | | 2009 |