| Hyperquantization algorithm. I. Theory for triatomic systems V Aquilanti, S Cavalli, D De Fazio The Journal of chemical physics 109 (10), 3792-3804, 1998 | 124 | 1998 |
| Ab initio dynamics of the He + H+ 2 → HeH+ +H reaction: a new potential energy surface and quantum mechanical cross-sections P Palmieri, C Puzzarini, V Aquilanti, G Capecchi, S Cavalli, D De Fazio, ... Molecular Physics 98 (21), 1835-1849, 2000 | 98 | 2000 |
| Benchmark rate constants by the hyperquantization algorithm. The F+ H2 reaction for various potential energy surfaces: features of the entrance channel and of the transition … V Aquilanti, S Cavalli, D De Fazio, A Volpi, A Aguilar, JM Lucas Chemical Physics 308 (3), 237-253, 2005 | 91 | 2005 |
| Exact reaction dynamics by the hyperquantization algorithm: integral and differential cross sections for F+ H 2, including long-range and spin–orbit effects V Aquilanti, S Cavalli, D De Fazio, A Volpi, A Aguilar, X Giménez, ... Physical Chemistry Chemical Physics 4 (3), 401-415, 2002 | 91 | 2002 |
| Hyperquantization algorithm. II. Implementation for the reaction dynamics including open-shell and spin-orbit interactions V Aquilanti, S Cavalli, D De Fazio, A Volpi, A Aguilar, X Giménez, ... The Journal of chemical physics 109 (10), 3805-3818, 1998 | 83 | 1998 |
| The He+ H2+ reaction: a dynamical test on potential energy surfaces for a system exhibiting a pronounced resonance pattern V Aquilanti, G Capecchi, S Cavalli, D De Fazio, P Palmieri, C Puzzarini, ... Chemical Physics Letters 318 (6), 619-628, 2000 | 81 | 2000 |
| Lifetime of reactive scattering resonances: Q-matrix analysis and angular momentum dependence for the reaction by the hyperquantization algorithm V Aquilanti, S Cavalli, A Simoni, A Aguilar, JM Lucas, D De Fazio The Journal of chemical physics 121 (23), 11675-11690, 2004 | 68 | 2004 |
| Exact activation energies and phenomenological description of quantum tunneling for model potential energy surfaces. The F+ H2 reaction at low temperature V Aquilanti, KC Mundim, S Cavalli, D De Fazio, A Aguilar, JM Lucas Chemical Physics 398, 186-191, 2012 | 64 | 2012 |
| Direct evaluation of the lifetime matrix by the hyperquantization algorithm: Narrow resonances in the F+ H2 reaction dynamics and their splitting for nonzero angular momentum V Aquilanti, S Cavalli, D De Fazio, A Simoni, TV Tscherbul The Journal of chemical physics 123 (5), 2005 | 63 | 2005 |
| Angular and hyperangular momentum coupling coefficients as hahn polynomials V Aquilanti, S Cavalli, D De Fazio The Journal of Physical Chemistry 99 (42), 15694-15698, 1995 | 61 | 1995 |
| Revisiting the potential energy surface for the He+ H2+→ HeH++ H reaction at the full configuration interaction level CN Ramachandran, D De Fazio, S Cavalli, F Tarantelli, V Aquilanti Chemical Physics Letters 469 (1-3), 26-30, 2009 | 56 | 2009 |
| The He + H2+ → HeH+ + H reaction: Ab initio studies of the potential energy surface, benchmark time-independent quantum dynamics in an extended energy … D De Fazio, M de Castro-Vitores, A Aguado, V Aquilanti, S Cavalli The Journal of Chemical Physics 137 (24), 2012 | 54 | 2012 |
| Interacting resonances in the F+ H2 reaction revisited: Complex terms, Riemann surfaces, and angular distributions D Sokolovski, SK Sen, V Aquilanti, S Cavalli, D De Fazio The Journal of chemical physics 126 (8), 2007 | 54 | 2007 |
| The H+ HeH+→ He+ H 2+ reaction from the ultra-cold regime to the three-body breakup: exact quantum mechanical integral cross sections and rate constants D De Fazio Physical Chemistry Chemical Physics 16 (23), 11662-11672, 2014 | 49 | 2014 |
| Reactivity enhanced by under-barrier tunneling and resonances: the F+ H2→ HF+ H reaction V Aquilanti, S Cavalli, D De Fazio, A Volpi, A Aguilar, X Giménez, ... Chemical physics letters 371 (3-4), 504-509, 2003 | 48 | 2003 |
| Exploring the accuracy level of new potential energy surfaces for the F+ HD reactions: from exact quantum rate constants to the state-to-state reaction dynamics D De Fazio, JM Lucas, V Aquilanti, S Cavalli Physical chemistry chemical physics 13 (18), 8571-8582, 2011 | 47 | 2011 |
| Theoretical reaction kinetics astride the transition between moderate and deep tunneling regimes: the F+ HD case S Cavalli, V Aquilanti, KC Mundim, D De Fazio The Journal of Physical Chemistry A 118 (33), 6632-6641, 2014 | 45 | 2014 |
| Guest species trapped inside carbon nanotubes CN Ramachandran, D De Fazio, N Sathyamurthy, V Aquilanti Chemical Physics Letters 473 (1-3), 146-150, 2009 | 45 | 2009 |
| Exact quantum calculations of the kinetic isotope effect: cross sections and rate constants for the F+ HD reaction and role of tunneling D De Fazio, V Aquilanti, S Cavalli, A Aguilar, JM Lucas The Journal of chemical physics 125 (13), 2006 | 44 | 2006 |
| On the origin of the forward peak and backward oscillations in the F+ H 2 (v= 0)→ HF (v′= 2)+ H reaction D Sokolovski, D De Fazio, S Cavalli, V Aquilanti Physical Chemistry Chemical Physics 9 (42), 5664-5671, 2007 | 43 | 2007 |
