Molecular Beam Scattering of Aligned Oxygen Molecules. The Nature of the Bond in the O2−O2 Dimer V Aquilanti, D Ascenzi, M Bartolomei, D Cappelletti, S Cavalli, ... Journal of the American Chemical Society 121 (46), 10794-10802, 1999 | 227 | 1999 |
Orienting and aligning molecules for stereochemistry and photodynamics V Aquilanti, M Bartolomei, F Pirani, D Cappelletti, F Vecchiocattivi, ... Physical Chemistry Chemical Physics 7 (2), 291-300, 2005 | 131 | 2005 |
Quantum Interference Scattering of Aligned Molecules: Bonding in and Role of Spin Coupling V Aquilanti, D Ascenzi, M Bartolomei, D Cappelletti, S Cavalli, ... Physical review letters 82 (1), 69, 1999 | 130 | 1999 |
Graphdiyne pores:“Ad Hoc” openings for helium separation applications M Bartolomei, E Carmona-Novillo, MI Hernández, J Campos-Martínez, ... The Journal of Physical Chemistry C 118 (51), 29966-29972, 2014 | 115 | 2014 |
Penetration barrier of water through graphynes' pores: first-principles predictions and force field optimization M Bartolomei, E Carmona-Novillo, MI Hernández, J Campos-Martínez, ... Journal of Physical Chemistry Letters 5 (4), 751-755, 2014 | 108 | 2014 |
Orientation of benzene in supersonic expansions, probed by IR-laser absorption and by molecular beam scattering F Pirani, D Cappelletti, M Bartolomei, V Aquilanti, M Scotoni, M Vescovi, ... Physical review letters 86 (22), 5035, 2001 | 107 | 2001 |
The system: An experimental potential energy surface and calculated rotovibrational levels of the molecular nitrogen dimer V Aquilanti, M Bartolomei, D Cappelletti, E Carmona-Novillo, F Pirani The Journal of chemical physics 117 (2), 615-627, 2002 | 104 | 2002 |
A bond–bond description of the intermolecular interaction energy: the case of weakly bound N 2–H 2 and N 2–N 2 complexes D Cappelletti, F Pirani, B Bussery-Honvault, L Gomez, M Bartolomei Physical Chemistry Chemical Physics 10 (29), 4281-4293, 2008 | 88 | 2008 |
Molecular Beam Scattering Experiments on Benzene−Rare Gas Systems: Probing the Potential Energy Surfaces for the C6H6−He, −Ne, and −Ar Dimers D Cappelletti, M Bartolomei, F Pirani, V Aquilanti The Journal of Physical Chemistry A 106 (45), 10764-10772, 2002 | 84 | 2002 |
A full dimensional grid empowered simulation of the CO2 + CO2 processes M Bartolomei, F Pirani, A Lagana, A Lombardi Journal of Computational Chemistry 33 (22), 1806-1819, 2012 | 82 | 2012 |
First principles investigation of hydrogen physical adsorption on graphynes' layers M Bartolomei, E Carmona-Novillo, G Giorgi Carbon 95, 1076-1081, 2015 | 81 | 2015 |
Global fits of new intermolecular ground state potential energy surfaces for N2–H2 and N2–N2 van der Waals dimers L Gomez, B Bussery-Honvault, T Cauchy, M Bartolomei, D Cappelletti, ... Chemical Physics Letters 445 (4-6), 99-107, 2007 | 73 | 2007 |
The intermolecular potentials of the O 2–O 2 dimer: a detailed ab initio study of the energy splittings for the three lowest multiplet states M Bartolomei, MI Hernández, J Campos-Martínez, E Carmona-Novillo, ... Physical Chemistry Chemical Physics 10 (35), 5374-5380, 2008 | 64 | 2008 |
Global potentials for the interaction between rare gases and graphene-based surfaces: An atom–bond pairwise additive representation M Bartolomei, E Carmona-Novillo, MI Hernandez, J Campos-Martinez, ... The Journal of Physical Chemistry C 117 (20), 10512-10522, 2013 | 63 | 2013 |
Dimers of the major components of the atmosphere: Realistic potential energy surfaces and quantum mechanical prediction of spectral features V Aquilanti, M Bartolomei, D Cappelletti, E Carmona-Novillo, F Pirani Physical Chemistry Chemical Physics 3 (18), 3891-3894, 2001 | 62 | 2001 |
Collisional orientation of the benzene molecular plane in supersonic seeded expansions, probed by infrared polarized laser absorption spectroscopy and by molecular beam scattering F Pirani, M Bartolomei, V Aquilanti, M Scotoni, M Vescovi, D Ascenzi, ... The Journal of chemical physics 119 (1), 265-276, 2003 | 61 | 2003 |
Global ab initio potential energy surfaces for the O2 (Σ3g−)+ O2 (Σ3g−) interaction M Bartolomei, E Carmona-Novillo, MI Hernández, J Campos-Martínez, ... The Journal of chemical physics 133 (12), 2010 | 58 | 2010 |
Long‐range interaction for dimers of atmospheric interest: dispersion, induction and electrostatic contributions for O2 O2, N2 N2 and O2 N2 M Bartolomei, E Carmona‐Novillo, MI Hernández, J Campos‐Martínez, ... Journal of computational chemistry 32 (2), 279-290, 2011 | 56 | 2011 |
Transferability and accuracy by combining dispersionless density functional and incremental post-Hartree-Fock theories: Noble gases adsorption on coronene/graphene/graphite … MP de Lara-Castells, M Bartolomei, AO Mitrushchenkov, H Stoll The Journal of Chemical Physics 143 (19), 2015 | 55 | 2015 |
Transmission of helium isotopes through graphdiyne pores: Tunneling versus zero point energy effects MI Hernández, M Bartolomei, J Campos-Martínez The Journal of Physical Chemistry A 119 (43), 10743-10749, 2015 | 53 | 2015 |