Source of image contrast in STM images of functionalized alkanes on graphite: A systematic functional group approach CL Claypool, F Faglioni, WA Goddard, HB Gray, NS Lewis, RA Marcus The Journal of Physical Chemistry B 101 (31), 5978-5995, 1997 | 332 | 1997 |
Predicting autoxidation stability of ether-and amide-based electrolyte solvents for Li–air batteries VS Bryantsev, F Faglioni The Journal of Physical Chemistry A 116 (26), 7128-7138, 2012 | 180 | 2012 |
Thermochemistry for Hydrocarbon Intermediates Chemisorbed on Metal Surfaces: CHn-m(CH3)m with n = 1, 2, 3 and m ≤ n on Pt, Ir, Os, Pd, Rh, and Ru J Kua, F Faglioni, WA Goddard Journal of the American Chemical Society 122 (10), 2309-2321, 2000 | 115 | 2000 |
Stability of Lithium Superoxide LiO2 in the Gas Phase: Computational Study of Dimerization and Disproportionation Reactions VS Bryantsev, M Blanco, F Faglioni The Journal of Physical Chemistry A 114 (31), 8165-8169, 2010 | 96 | 2010 |
Theoretical description of the STM images of alkanes and substituted alkanes adsorbed on graphite F Faglioni, CL Claypool, NS Lewis, WA Goddard The Journal of Physical Chemistry B 101 (31), 5996-6020, 1997 | 95 | 1997 |
Why downfield proton chemical shifts are not reliable aromaticity indicators F Faglioni, A Ligabue, S Pelloni, A Soncini, RG Viglione, MB Ferraro, ... Organic letters 7 (16), 3457-3460, 2005 | 94 | 2005 |
Methane Activation by Transition-Metal Oxides, MOx (M = Cr, Mo, W; x = 1, 2, 3) X Xu, F Faglioni, WA Goddard The Journal of Physical Chemistry A 106 (31), 7171-7176, 2002 | 72 | 2002 |
Heterogeneous inhibition of homogeneous reactions: Karstedt catalyzed hydrosilylation F Faglioni, M Blanco, WA Goddard, D Saunders The Journal of Physical Chemistry B 106 (7), 1714-1721, 2002 | 72 | 2002 |
Topology of magnetic-field-induced current-density field in diatropic monocyclic molecules S Pelloni, F Faglioni, R Zanasi, P Lazzeretti Physical Review A 74 (1), 012506, 2006 | 70 | 2006 |
Alkylation of phenol: a mechanistic view Q Ma, D Chakraborty, F Faglioni, RP Muller, WA Goddard, T Harris, ... The Journal of Physical Chemistry A 110 (6), 2246-2252, 2006 | 65 | 2006 |
Parity-violating contributions to nuclear magnetic shielding A Soncini, F Faglioni, P Lazzeretti Physical Review A 68 (3), 033402, 2003 | 62 | 2003 |
Effects of molecular geometry on the STM image contrast of methyl-and bromo-substituted alkanes and alkanols on graphite CL Claypool, F Faglioni, AJ Matzger, WA Goddard, NS Lewis The Journal of Physical Chemistry B 103 (44), 9690-9699, 1999 | 58 | 1999 |
GVB–RP: A reliable MCSCF wave function for large systems F Faglioni, WA Goddard III International journal of quantum chemistry 73 (1), 1-22, 1999 | 55 | 1999 |
Energetics of hydrogen coverage on group VIII transition metal surfaces and a kinetic model for adsorption/desorption F Faglioni, WA Goddard The Journal of chemical physics 122 (1), 2005 | 53 | 2005 |
Role of solvent-anion charge transfer in oxidative degradation of battery electrolytes ER Fadel, F Faglioni, G Samsonidze, N Molinari, BV Merinov, ... Nature communications 10 (1), 3360, 2019 | 49 | 2019 |
Deep learning techniques for detecting preneoplastic and neoplastic lesions in human colorectal histological images P Sena, R Fioresi, F Faglioni, L Losi, G Faglioni, L Roncucci Oncology letters 18 (6), 6101-6107, 2019 | 44 | 2019 |
Parity-violation effect on vibrational spectra F Faglioni, P Lazzeretti Physical Review A 67 (3), 032101, 2003 | 43 | 2003 |
Molecular response to a time-independent non-uniform magnetic-field F Faglioni, A Ligabue, S Pelloni, A Soncini, P Lazzeretti Chemical physics 304 (3), 289-299, 2004 | 39 | 2004 |
Ring current effects on nuclear magnetic shielding of carbon in the benzene molecule MB Ferraro, F Faglioni, A Ligabue, S Pelloni, P Lazzeretti Magnetic Resonance in Chemistry 43 (4), 316-320, 2005 | 36 | 2005 |
Understanding parity violation in molecular systems F Faglioni, P Lazzeretti Physical Review E 65 (1), 011904, 2001 | 35 | 2001 |