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
764 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 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
172 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
167 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
158 2002 Influence of the exchange‐correlation functional in all‐electron calculations of the vibrational frequencies of corundum (α‐Al2 O3 ) B Montanari, B Civalleri, CM Zicovich‐Wilson, R Dovesi
International Journal of Quantum Chemistry 106 (7), 1703-1714, 2006
90 2006 Magnetic properties of polymerized JA Chan, B Montanari, JD Gale, SM Bennington, JW Taylor, NM Harrison
Physical Review B—Condensed Matter and Materials Physics 70 (4), 041403, 2004
78 2004 Pressure-induced instabilities in bulk TiO2 rutile B Montanari, NM Harrison
Journal of Physics: Condensed Matter 16 (3), 273, 2004
61 2004 Density functional study of crystalline polyethylene B Montanari, RO Jones
Chemical physics letters 272 (5-6), 347-352, 1997
59 1997 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 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
57 1998 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
55 2008 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
53 2009 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 Geometric structure of W Busayaporn, X Torrelles, A Wander, S Tomić, A Ernst, B Montanari, ...
Physical Review B—Condensed Matter and Materials Physics 81 (15), 153404, 2010
43 2010 Ab initio complex band structure of conjugated polymers: Effects of hydrid density functional theory and 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
42 2012 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
36 2008 