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
126 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 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 Quantum Chemistry of C3 H6 O 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
55 2010 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 Range and strength of intermolecular forces for van der Waals complexes of the type H2 Xn ‐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 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
47 2011 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