Federico Musso

Realistic Models of Hydroxylated Amorphous Silica Surfaces and MCM‐41 Mesoporous Material Simulated by Large‐scale Periodic B3LYP Calculations

M. Sodupe, R. Orlando, R. Dovesi, 2008 .

Do H-bond features of silica surfaces affect the H2O and NH3 adsorption? Insights from periodic B3LYP calculations.

M. Sodupe, P. Ugliengo, F. Musso, 2011, The journal of physical chemistry. A.

How strong are H-bonds at the fully hydroxylated silica surfaces? Insights from the B3LYP electron density topological analysis

M. Corno, P. Ugliengo, S. Casassa, 2017, Structural Chemistry.

Cooperative effects at water-crystalline silica interfaces strengthen surface silanol hydrogen bonding. An ab initio molecular dynamics study.

M. Sodupe, P. Ugliengo, P. Mignon, 2012, Physical chemistry chemical physics : PCCP.

Periodic DFT Study of Radical Species on Crystalline Silica Surfaces

M. Sodupe, P. Ugliengo, X. Solans-Monfort, 2010 .

H-Bond Features of Fully Hydroxylated Surfaces of Crystalline Silica Polymorphs: A Periodic B3LYP Study

M. Sodupe, M. Corno, P. Ugliengo, 2009 .

FFSiOH: a New Force Field for Silica Polymorphs and Their Hydroxylated Surfaces Based on Periodic B3LYP Calculations

M. Menziani, M. Corno, P. Ugliengo, 2008 .

Structure of the Catalytic Active Sites in Vanadium-Doped Aluminophosphate Microporous Materials. New Evidence from Spin Density Studies

F. Corà, S. Maurelli, M. Chiesa, 2014 .