| TD-DFT benchmark on inorganic Pt (II) and Ir (III) complexes C Latouche, D Skouteris, F Palazzetti, V Barone Journal of chemical theory and computation 11 (7), 3281-3289, 2015 | 127 | 2015 |
| The hydrogen peroxide− rare gas systems: quantum chemical calculations and hyperspherical harmonic representation of the potential energy surface for atom− floppy molecule … PRP Barreto, AFA Vilela, A Lombardi, GS Maciel, F Palazzetti, V Aquilanti The Journal of Physical Chemistry A 111 (49), 12754-12762, 2007 | 82 | 2007 |
| Advances in non-equilibrium plasma kinetics: a theoretical and experimental review LD Pietanza, O Guaitella, V Aquilanti, I Armenise, A Bogaerts, M Capitelli, ... The European Physical Journal D 75 (9), 237, 2021 | 69 | 2021 |
| A quantum chemical study of H2S2: Intramolecular torsional mode and intermolecular interactions with rare gases GS Maciel, PRP Barreto, F Palazzetti, A Lombardi, V Aquilanti The Journal of chemical physics 129, 164302, 2008 | 69 | 2008 |
| Simulation of oriented collision dynamics of simple chiral molecules A Lombardi, F Palazzetti, GS Maciel, V Aquilanti, MB Sevryuk International Journal of Quantum Chemistry 111 (7‐8), 1651-1658, 2011 | 64 | 2011 |
| Quantum Chemistry of C3H6O Molecules: Structure and Stability, Isomerization Pathways, and Chirality Changing Mechanisms M Elango, GS Maciel, F Palazzetti, A Lombardi, V Aquilanti The Journal of Physical Chemistry A 114 (36), 9864-9874, 2010 | 57 | 2010 |
| The origin of chiral discrimination: supersonic molecular beam experiments and molecular dynamics simulations of collisional mechanisms V Aquilanti, G Grossi, A Lombardi, GS Maciel, F Palazzetti Physica Scripta 78 (5), 058119, 2008 | 57 | 2008 |
| Electrostatic hexapole state-selection of the asymmetric-top molecule propylene oxide DC Che, F Palazzetti, Y Okuno, V Aquilanti, T Kasai The Journal of Physical Chemistry A 114 (9), 3280-3286, 2010 | 54 | 2010 |
| High-accuracy vibrational computations for transition-metal complexes including anharmonic corrections: ferrocene, ruthenocene, and osmocene as test cases C Latouche, F Palazzetti, D Skouteris, V Barone Journal of chemical theory and computation 10 (10), 4565-4573, 2014 | 53 | 2014 |
| Potential energy surfaces for interactions of H2 O with H2, N2 and O2: A hyperspherical harmonics representation, and a minimal model for the H2O–rare-gas-atom systems PRB Barreto, AF Albernaz, A Capobianco, F Palazzetti, A Lombardi, ... Computational and Theoretical Chemistry 990, 53-61, 2012 | 52 | 2012 |
| Spherical and hyperspherical representation of potential energy surfaces for intermolecular interactions F Palazzetti, E Munusamy, A Lombardi, G Grossi, V Aquilanti International Journal of Quantum Chemistry 111 (2), 318-332, 2011 | 52 | 2011 |
| Aligned molecular collisions and a stereodynamical mechanism for selective chirality V Aquilanti, G Grossi, A Lombardi, GS Maciel, F Palazzetti Rendiconti Lincei 22, 125-135, 2011 | 50 | 2011 |
| Electrostatic Hexapole State-Selection of the Asymmetric-Top Molecule Propylene Oxide: Rotational and Orientational Distributions DC Che, K Kanda, F Palazzetti, V Aquilanti, T Kasai Chemical Physics 399, 180-192, 2012 | 49 | 2012 |
| Roads leading to roam. Role of triple fragmentation and of conical intersections in photochemical reactions: experiments and theory on methyl formate PY Tsai, MH Chao, T Kasai, KC Lin, A Lombardi, F Palazzetti, V Aquilanti Physical Chemistry Chemical Physics 16 (7), 2854-2865, 2014 | 48 | 2014 |
| Hyperspherical representation of potential energy surfaces: intermolecular interactions in tetra-atomic and penta-atomic systems PRP Barreto, AF Albernaz, F Palazzetti, A Lombardi, G Grossi, V Aquilanti Physica Scripta 84 (2), 028111, 2011 | 48 | 2011 |
| Range and strength of intermolecular forces for van der Waals complexes of the type H2Xn‐Rg, with X = O, S and n = 1,2 PRP Barreto, F Palazzetti, G Grossi, A Lombardi, GS Maciel, AFA Vilela International Journal of Quantum Chemistry 110 (3), 777-786, 2010 | 48 | 2010 |
| Aligned molecules: chirality discrimination in photodissociation and in molecular dynamics F Palazzetti, PY Tsai, A Lombardi, M Nakamura, DC Che, T Kasai, KC Lin, ... Rendiconti Lincei 24, 299-308, 2013 | 45 | 2013 |
| Dynamical, spectroscopic and computational imaging of bond breaking in photodissociation: roaming and role of conical intersections M Nakamura, PY Tsai, T Kasai, KC Lin, F Palazzetti, A Lombardi, ... Faraday discussions 177, 77-98, 2015 | 42 | 2015 |
| Collisional autoionization dynamics of Ne∗(3P2, 0)–H2O N Balucani, A Bartocci, B Brunetti, P Candori, S Falcinelli, F Palazzetti, ... Chemical Physics Letters 546, 34-39, 2012 | 42 | 2012 |
| A comparison of interatomic potentials for rare gas nanoaggregates A Lombardi, F Palazzetti Journal of Molecular Structure: THEOCHEM 852 (1-3), 22-29, 2008 | 40 | 2008 |
