Periodic ab initio study of structural and vibrational features of hexagonal hydroxyapatite Ca 10 (PO 4) 6 (OH) 2 M Corno, C Busco, B Civalleri, P Ugliengo Physical Chemistry Chemical Physics 8 (21), 2464-2472, 2006 | 215 | 2006 |
Hydroxyapatite as a key biomaterial: quantum-mechanical simulation of its surfaces in interaction with biomolecules M Corno, A Rimola, V Bolis, P Ugliengo Physical Chemistry Chemical Physics 12 (24), 6309-6329, 2010 | 146 | 2010 |
Ab Initio Modeling of Protein/Biomaterial Interactions: Glycine Adsorption at Hydroxyapatite Surfaces A Rimola, M Corno, CM Zicovich-Wilson, P Ugliengo Journal of the American Chemical Society 130 (48), 16181-16183, 2008 | 127 | 2008 |
Assessment of different quantum mechanical methods for the prediction of structure and cohesive energy of molecular crystals M Cutini, B Civalleri, M Corno, R Orlando, JG Brandenburg, L Maschio, ... Journal of chemical theory and computation 12 (7), 3340-3352, 2016 | 98 | 2016 |
Water adsorption on the stoichiometric (001) and (010) surfaces of hydroxyapatite: a periodic B3LYP study M Corno, C Busco, V Bolis, S Tosoni, P Ugliengo Langmuir 25 (4), 2188-2198, 2009 | 93 | 2009 |
FFSiOH: a new force field for silica polymorphs and their hydroxylated surfaces based on periodic B3LYP calculations A Pedone, G Malavasi, MC Menziani, U Segre, F Musso, M Corno, ... Chemistry of Materials 20 (7), 2522-2531, 2008 | 89 | 2008 |
Does dispersion dominate over H-bonds in drug–surface interactions? The case of silica-based materials as excipients and drug-delivery agents M Delle Piane, M Corno, P Ugliengo Journal of chemical theory and computation 9 (5), 2404-2415, 2013 | 83 | 2013 |
The vibrational features of hydroxylapatite and type A carbonated apatite: a first principle contribution G Ulian, G Valdrè, M Corno, P Ugliengo American Mineralogist 98 (4), 752-759, 2013 | 80* | 2013 |
Large-scale B3LYP simulations of ibuprofen adsorbed in MCM-41 mesoporous silica as drug delivery system M Delle Piane, M Corno, A Pedone, R Dovesi, P Ugliengo The Journal of Physical Chemistry C 118 (46), 26737-26749, 2014 | 68 | 2014 |
H-bond features of fully hydroxylated surfaces of crystalline silica polymorphs: A periodic B3LYP study F Musso, M Sodupe, M Corno, P Ugliengo The Journal of Physical Chemistry C 113 (41), 17876-17884, 2009 | 68 | 2009 |
Coordination chemistry of Ca sites at the surface of nanosized hydroxyapatite: interaction with H2O and CO V Bolis, C Busco, G Martra, L Bertinetti, Y Sakhno, P Ugliengo, F Chiatti, ... Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2012 | 63 | 2012 |
Synthesis and Structural Investigation of Zr(BH4)4 LH Rude, M Corno, P Ugliengo, M Baricco, YS Lee, YW Cho, ... The Journal of Physical Chemistry C 116 (38), 20239-20245, 2012 | 58 | 2012 |
Silica-based materials as drug adsorbents: first principle investigation on the role of water microsolvation on ibuprofen adsorption M Delle Piane, S Vaccari, M Corno, P Ugliengo The Journal of Physical Chemistry A 118 (31), 5801-5807, 2014 | 54 | 2014 |
B3LYP Simulation of the Full Vibrational Spectrum of 45S5 Bioactive Silicate Glass Compared to v-Silica M Corno, A Pedone, R Dovesi, P Ugliengo Chemistry of Materials 20 (17), 5610-5621, 2008 | 52 | 2008 |
Ab initio modeling of protein/biomaterial interactions: competitive adsorption between glycine and water onto hydroxyapatite surfaces A Rimola, M Corno, CM Zicovich-Wilson, P Ugliengo Physical Chemistry Chemical Physics 11 (40), 9005-9007, 2009 | 51 | 2009 |
Ab initio modeling of protein/biomaterial interactions: competitive adsorption between glycine and water onto hydroxyapatite surfaces A Rimola, M Corno, CM Zicovich-Wilson, P Ugliengo Physical Chemistry Chemical Physics 11 (40), 9005-9007, 2009 | 51 | 2009 |
Vibrational Properties of MBH4 and MBF4 Crystals (M = Li, Na, K): A Combined DFT, Infrared, and Raman Study O Zavorotynska, M Corno, A Damin, G Spoto, P Ugliengo, M Baricco The Journal of Physical Chemistry C 115 (38), 18890-18900, 2011 | 48 | 2011 |
Ab initio modelling of protein–biomaterial interactions: influence of amino acid polar side chains on adsorption at hydroxyapatite surfaces A Rimola, M Corno, J Garza, P Ugliengo Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2012 | 44 | 2012 |
A computational study on the effect of fluorine substitution in LiBH4 M Corno, E Pinatel, P Ugliengo, M Baricco Journal of alloys and compounds 509, S679-S683, 2011 | 44 | 2011 |
Halide substitution in magnesium borohydride S Hino, JE Fonneløp, M Corno, O Zavorotynska, A Damin, B Richter, ... The Journal of Physical Chemistry C 116 (23), 12482-12488, 2012 | 43 | 2012 |