| Electronic structure and magnetic properties of graphitic ribbons L Pisani, JA Chan, B Montanari, NM Harrison Physical Review B—Condensed Matter and Materials Physics 75 (6), 064418, 2007 | 771 | 2007 |
| Dynamics of single Fe atoms in graphene vacancies AW Robertson, B Montanari, K He, J Kim, CS Allen, YA Wu, J Olivier, ... Nano letters 13 (4), 1468-1475, 2013 | 267 | 2013 |
| Structural transformations in graphene studied with high spatial and temporal resolution JH Warner, MH Rümmeli, L Ge, T Gemming, B Montanari, NM Harrison, ... Nature nanotechnology 4 (8), 500-504, 2009 | 257 | 2009 |
| Revisiting the Surface Structure of : A Quantitative <?format ?>low-Energy Electron Diffraction Study R Lindsay, A Wander, A Ernst, B Montanari, G Thornton, NM Harrison Physical review letters 94 (24), 246102, 2005 | 192 | 2005 |
| The group III–V's semiconductor energy gaps predicted using the B3LYP hybrid functional S Tomić, B Montanari, NM Harrison Physica E: Low-dimensional Systems and Nanostructures 40 (6), 2125-2127, 2008 | 173 | 2008 |
| Structural reconstruction of the graphene monovacancy AW Robertson, B Montanari, K He, CS Allen, YA Wu, NM Harrison, ... ACS nano 7 (5), 4495-4502, 2013 | 170 | 2013 |
| A defective graphene phase predicted to be a room temperature ferromagnetic semiconductor L Pisani, B Montanari, NM Harrison New Journal of Physics 10 (3), 033002, 2008 | 166 | 2008 |
| Lattice dynamics of TiO2 rutile: influence of gradient corrections in density functional calculations B Montanari, NM Harrison Chemical physics letters 364 (5-6), 528-534, 2002 | 159 | 2002 |
| Influence of the exchange‐correlation functional in all‐electron calculations of the vibrational frequencies of corundum (α‐Al2O3) B Montanari, B Civalleri, CM Zicovich‐Wilson, R Dovesi International Journal of Quantum Chemistry 106 (7), 1703-1714, 2006 | 91 | 2006 |
| Magnetic properties of polymerized : The influence of defects and hydrogen JA Chan, B Montanari, JD Gale, SM Bennington, JW Taylor, NM Harrison Physical Review B—Condensed Matter and Materials Physics 70 (4), 041403, 2004 | 80 | 2004 |
| Pressure-induced instabilities in bulkTiO2 rutile B Montanari, NM Harrison Journal of Physics: Condensed Matter 16 (3), 273, 2004 | 60 | 2004 |
| Soft modes in strained and unstrained rutile PD Mitev, K Hermansson, B Montanari, K Refson Physical Review B—Condensed Matter and Materials Physics 81 (13), 134303, 2010 | 58 | 2010 |
| Density functional study of crystalline polyethylene B Montanari, RO Jones Chemical physics letters 272 (5-6), 347-352, 1997 | 58 | 1997 |
| Dynamics of paramagnetic metallofullerenes in carbon nanotube peapods JH Warner, AAR Watt, L Ge, K Porfyrakis, T Akachi, H Okimoto, Y Ito, ... Nano letters 8 (4), 1005-1010, 2008 | 57 | 2008 |
| Density functional study of molecular crystals: Polyethylene and a crystalline analog of bisphenol-A polycarbonate B Montanari, P Ballone, RO Jones The Journal of chemical physics 108 (16), 6947-6951, 1998 | 55 | 1998 |
| Density functional study of the magnetic coupling in GC De Fusco, L Pisani, B Montanari, NM Harrison Physical Review B—Condensed Matter and Materials Physics 79 (8), 085201, 2009 | 54 | 2009 |
| Geometric structure of : Confirming experimental conclusions W Busayaporn, X Torrelles, A Wander, S Tomić, A Ernst, B Montanari, ... Physical Review B—Condensed Matter and Materials Physics 81 (15), 153404, 2010 | 44 | 2010 |
| Ab initio complex band structure of conjugated polymers: Effects of hydrid density functional theory and schemes A Ferretti, G Mallia, L Martin-Samos, G Bussi, A Ruini, B Montanari, ... Physical Review B—Condensed Matter and Materials Physics 85 (23), 235105, 2012 | 43 | 2012 |
| Parallel implementation of the ab initio CRYSTAL program: electronic structure calculations for periodic systems IJ Bush, S Tomić, BG Searle, G Mallia, CL Bailey, B Montanari, ... Proceedings of the Royal Society A: Mathematical, Physical and Engineering …, 2011 | 43 | 2011 |
| Modeling spin interactions in carbon peapods using a hybrid density functional theory L Ge, B Montanari, JH Jefferson, DG Pettifor, NM Harrison, GAD Briggs Physical Review B—Condensed Matter and Materials Physics 77 (23), 235416, 2008 | 35 | 2008 |