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Dario De Fazio
Dario De Fazio
Ricercatore Istituto Metodologie Inorganiche e dei Plasmi, IMIP-CNR
Email verificata su cnr.it
Titolo
Citata da
Citata da
Anno
Hyperquantization algorithm. I. Theory for triatomic systems
V Aquilanti, S Cavalli, D De Fazio
The Journal of chemical physics 109 (10), 3792-3804, 1998
1241998
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
962000
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
912002
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
892005
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
841998
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
812000
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
682004
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
632005
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
622012
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
611995
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
542007
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
532009
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
522012
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
492014
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
482003
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
462006
Guest species trapped inside carbon nanotubes
CN Ramachandran, D De Fazio, N Sathyamurthy, V Aquilanti
Chemical Physics Letters 473 (1-3), 146-150, 2009
452009
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
442014
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
432007
Orthogonal polynomials of a discrete variable as expansion basis sets in quantum mechanics: Hyperquantization algorithm
D De Fazio, S Cavalli, V Aquilanti
International journal of quantum chemistry 93 (2), 91-111, 2003
422003
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
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