Personal information

Other IDs

ResearcherID: C-5865-2015
Scopus Author ID: 6602842653

Activities

Collapse all

Works (49)

A Transition State Resonance Radically Reshapes Angular Distributions of the F + H2 → FH(vf = 3) + H Reaction in the 62–102 meV Energy Range

ACS Physical Chemistry Au
2025-02-04 | Journal article
DOI: 10.1021/acsphyschemau.4c00096
Contributors: Dmitri Sokolovski; Dario De Fazio; Elena Akhmatskaya
Source: check_circle
Crossref

A single resonance Regge pole dominates the forward-angle scattering of the state-to-state F + H2 → FH + H reaction at Etrans = 62.09 meV

Physical Chemistry Chemical Physics
2024 | Journal article
DOI: 10.1039/D3CP04734B
Contributors: Chengkui Xiahou; J. N. L. Connor; Dario De Fazio; Dmitri Sokolovski
Source: check_circle
Crossref

Benchmark Quantum Kinetics at Low Temperatures toward Absolute Zero and Role of Entrance Channel Wells on Tunneling, Virtual States, and Resonances: The F + HD Reaction

The Journal of Physical Chemistry A
2020-01-09 | Journal article
DOI: 10.1021/acs.jpca.9b08435
Contributors: Dario De Fazio; Vincenzo Aquilanti; Simonetta Cavalli
Source: check_circle
Crossref

Non-adiabatic quantum dynamics of the dissociative charge transfer He <sup>+</sup> +H <inf>2</inf> → He+H+H <sup>+</sup>

Frontiers in Chemistry
2019 | Journal article
DOI: 10.3389/fchem.2019.00249
EID:

2-s2.0-85064645105
Contributors: De Fazio, D.; Aguado, A.; Petrongolo, C.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Quantum dynamics and kinetics of the F + H<inf>2</inf> and F + D<inf>2</inf> reactions at low and ultra-low temperatures

Frontiers in Chemistry
2019 | Journal article
DOI: 10.3389/fchem.2019.00328
EID:

2-s2.0-85068527085
Contributors: De Fazio, D.; Aquilanti, V.; Cavalli, S.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Benchmark Quantum Mechanical Calculations of Vibrationally Resolved Cross Sections and Rate Constants on ab Initio Potential Energy Surfaces for the F + HD Reaction: Comparisons with Experiments

Journal of Physical Chemistry A
2016 | Journal article
DOI: 10.1021/acs.jpca.6b01471
EID:

2-s2.0-84978685246
Contributors: De Fazio, D.; Cavalli, S.; Aquilanti, V.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Complementarity between Quantum and Classical Mechanics in Chemical Modeling. The H + HeH+ -> H-2(+) + He Reaction: A Rigourous Test for Reaction Dynamics Methods

Journal of Physical Chemistry a
2015 | Journal article
DOI: 10.1021/acs.jpca.5b09660
WOSUID:

WOS:000367561100004
Contributors: Esposito, Fabrizio; Coppola, Carla Maria; De Fazio, Dario
Source: Self-asserted source
Dario De Fazio via ResearcherID
grade
Preferred source (of 2)‎

Complex angular momentum theory of state-to-state integral cross sections: Resonance effects in the F + HD → HF(v′ = 3) + D reaction

Physical Chemistry Chemical Physics
2015 | Journal article
DOI: 10.1039/c5cp01169h
EID:

2-s2.0-84936972014
Contributors: Sokolovski, D.; Akhmatskaya, E.; Echeverría-Arrondo, C.; De Fazio, D.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

The H + HeH<sup>+</sup> → He + H<inf>2</inf><sup>+</sup> reaction from the ultra-cold regime to the three-body breakup: Exact quantum mechanical integral cross sections and rate constants

Physical Chemistry Chemical Physics
2014 | Journal article
DOI: 10.1039/c4cp00502c
EID:

2-s2.0-84901288684
Contributors: De Fazio, D.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Theoretical reaction kinetics astride the transition between moderate and deep tunneling regimes: The F + HD case

Journal of Physical Chemistry A
2014 | Journal article
DOI: 10.1021/jp503463w
EID:

2-s2.0-84906500769
Contributors: Cavalli, S.; Aquilanti, V.; Mundim, K.C.; De Fazio, D.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Polarization of molecular angular momentum in the chemical reactions Li + HF and F + HD

Journal of Chemical Physics
2013 | Journal article
DOI: 10.1063/1.4809992
EID:

2-s2.0-84879933206
Contributors: Krasilnikov, M.B.; Popov, R.S.; Roncero, O.; De Fazio, D.; Cavalli, S.; Aquilanti, V.; Vasyutinskii, O.S.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Exact activation energies and phenomenological description of quantum tunneling for model potential energy surfaces. the F + H <inf>2</inf> reaction at low temperature

Chemical Physics
2012 | Journal article
DOI: 10.1016/j.chemphys.2011.05.016
EID:

2-s2.0-84860886573
Contributors: Aquilanti, V.; Mundim, K.C.; Cavalli, S.; De Fazio, D.; Aguilar, A.; Lucas, J.M.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

The He H<inf>2</inf><sup>+</sup> → HeH<sup>+</sup> H reaction: Ab initio studies of the potential energy surface, benchmark time-independent quantum dynamics in an extended energy range and comparison with experiments

Journal of Chemical Physics
2012 | Journal article
DOI: 10.1063/1.4772651
EID:

2-s2.0-84872016152
Contributors: De Fazio, D.; De Castro-Vitores, M.; Aguado, A.; Aquilanti, V.; Cavalli, S.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Vector correlations in the F + HD reaction

Russian Journal of Physical Chemistry B
2012 | Journal article
DOI: 10.1134/S1990793112050065
EID:

2-s2.0-84869153812
Contributors: Krasil'nikov, M.B.; Vasyutinskii, O.S.; De Fazio, D.; Cavalli, S.; Aquilantic, V.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Coalescence of metastable states in chemical reactions: Double poles of the scattering matrix and exceptional points

Theoretical Chemistry Accounts
2011 | Journal article
DOI: 10.1007/s00214-011-0915-y
EID:

2-s2.0-79955476561
Contributors: Cavalli, S.; de Fazio, D.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

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

Physical Chemistry Chemical Physics
2011 | Journal article
DOI: 10.1039/c0cp02738c
EID:

2-s2.0-79955401679
Contributors: De Fazio, D.; Lucas, J.M.; Aquilanti, V.; Cavalli, S.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Guest species trapped inside carbon nanotubes

Chemical Physics Letters
2009 | Journal article
DOI: 10.1016/j.cplett.2009.03.068
EID:

2-s2.0-64649091203
Contributors: Ramachandran, C.N.; Fazio, D.D.; Sathyamurthy, N.; Aquilanti, V.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Quantum stereodynamics for the two product channels of the F + HD reaction from the complete scattering matrix in the stereodirected representation

Journal of Physical Chemistry A
2009 | Journal article
DOI: 10.1021/jp904972n
EID:

2-s2.0-73949156935
Contributors: Skouteris, D.; De Fazio, D.; Cavalli, S.; Aquilanti, V.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Revisiting the potential energy surface for the He + H<inf>2</inf><sup>+</sup> → HeH<sup>+</sup> + H reaction at the full configuration interaction level

Chemical Physics Letters
2009 | Journal article
DOI: 10.1016/j.cplett.2008.12.035
EID:

2-s2.0-58549113639
Contributors: Ramachandran, C.N.; De Fazio, D.; Cavalli, S.; Tarantelli, F.; Aquilanti, V.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Exact state-to-state quantum dynamics of the F+HD→HF (v′ =2) +D reaction on model potential energy surfaces

Journal of Chemical Physics
2008 | Journal article
DOI: 10.1063/1.2964103
EID:

2-s2.0-49749143401
Contributors: De Fazio, D.; Aquilanti, V.; Cavalli, S.; Aguilar, A.; Lucas, J.M.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Scattering matrix in reactive collision theory: From resonances to rate constants

Journal of Molecular Structure: THEOCHEM
2008 | Journal article
DOI: 10.1016/j.theochem.2007.12.018
EID:

2-s2.0-39749165638
Contributors: Cavalli, S.; De Fazio, D.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Interacting resonances in the F+ H2 reaction revisited: Complex terms, Riemann surfaces, and angular distributions

Journal of Chemical Physics
2007 | Journal article
DOI: 10.1063/1.2432120
EID:

2-s2.0-33847652805
Contributors: Sokolovski, D.; Sen, S.K.; Aquilanti, V.; Cavalli, S.; De Fazio, D.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

On the origin of the forward peak and backward oscillations in the F + H2(v = 0) → HF(v′ = 2) + H reaction

Physical Chemistry Chemical Physics
2007 | Journal article
DOI: 10.1039/b709427b
EID:

2-s2.0-35448999633
Contributors: Sokolovski, D.; De Fazio, D.; Cavalli, S.; Aquilanti, V.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

On the role of scattering resonances in the F + HD reaction dynamics

Journal of Physical Chemistry A
2007 | Journal article
DOI: 10.1021/jp0759473
EID:

2-s2.0-38049101156
Contributors: De Fazio, D.; Cavalli, S.; Aquilanti, V.; Buchachenko, A.A.; Tscherbul, T.V.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Overlapping resonances and Regge oscillations in the state-to-state integral cross sections of the F+H<inf>2</inf> reaction

Journal of Chemical Physics
2007 | Journal article
DOI: 10.1063/1.2718947
EID:

2-s2.0-34047124312
Contributors: Sokolovski, D.; De Fazio, D.; Cavalli, S.; Aquilanti, V.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

The time-delay route to reactive scattering resonances: The case of the F+H<inf>2</inf> → HF + H reaction

Physica Scripta
2007 | Journal article
DOI: 10.1088/0031-8949/76/3/N03
EID:

2-s2.0-34548776451
Contributors: Cavalli, S.; De Fazio, D.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Exact quantum calculations of the kinetic isotope effect: Cross sections and rate constants for the F+HD reaction and role of tunneling

Journal of Chemical Physics
2006 | Journal article
DOI: 10.1063/1.2221695
EID:

2-s2.0-33749469797
Contributors: De Fazio, D.; Aquilanti, V.; Cavalli, S.; Aguilar, A.; Lucas, J.M.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Benchmark rate constants by the hyperquantization algorithm. The F + H <inf>2</inf> reaction for various potential energy surfaces: Features of the entrance channel and of the transition state, and low temperature reactivity

Chemical Physics
2005 | Journal article
DOI: 10.1016/j.chemphys.2004.03.027
EID:

2-s2.0-8544257020
Contributors: Aquilanti, V.; Cavalli, S.; De Fazio, D.; Volpi, A.; Aguilar, A.; Lucas, J.M.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Direct evaluation of the lifetime matrix by the hyperquantization algorithm: Narrow resonances in the F + H <inf>2</inf> reaction dynamics and their splitting for nonzero angular momentum

Journal of Chemical Physics
2005 | Journal article
DOI: 10.1063/1.1988311
EID:

2-s2.0-23944492711
Contributors: Aquilanti, V.; Cavalli, S.; De Fazio, D.; Simoni, A.; Tscherbul, T.V.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Lifetime of reactive scattering resonances: Q-matrix analysis and angular momentum dependence for the F+H<inf>2</inf> reaction by the hyperquantization algorithm

Journal of Chemical Physics
2004 | Journal article
DOI: 10.1063/1.1814096
EID:

2-s2.0-11044235844
Contributors: Aquilanti, V.; Cavalli, S.; Simoni, A.; Aguilar, A.; Lucas, J.M.; De Fazio, D.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Quantum stereodynamics of the F + H<inf>2</inf> → HF + H reaction by the stereodirected S-matrix approach

Chemical Physics
2004 | Journal article
DOI: 10.1016/j.chemphys.2004.02.002
EID:

2-s2.0-2542471441
Contributors: Aldegunde, J.; Alvariño, J.M.; De Fazio, D.; Cavalli, S.; Grossi, G.; Aquilanti, V.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Orthogonal polynomials of a discrete variable as expansion basis sets in quantum mechanics: Hyperquantization algorithm

International Journal of Quantum Chemistry
2003 | Journal article
DOI: 10.1002/qua.10566
EID:

2-s2.0-0037622111
Contributors: De Fazio, D.; Cavalli, S.; Aquilanti, V.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Reactivity enhanced by under-barrier tunneling and resonances: The F + H<inf>2</inf> → HF + H reaction

Chemical Physics Letters
2003 | Journal article
DOI: 10.1016/S0009-2614(03)00311-7
EID:

2-s2.0-0037424779
Contributors: Aquilanti, V.; Cavalli, S.; De Fazio, D.; Volpi, A.; Aguilar, A.; Giménez, X.; Lucas, J.M.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Exact reaction dynamics by the hyperquantization algorithm: Integral and differential cross sections for F + H<inf>2</inf>, including long-range and spin-orbit effects

Physical Chemistry Chemical Physics
2002 | Journal article
DOI: 10.1039/b107239k
EID:

2-s2.0-0036157834
Contributors: Aquilanti, V.; Cavalli, S.; Cavalli, S.; De Fazio, D.; Volpi, A.; Aguilar, A.; Giménez, X.; Lucas, J.M.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Dynamics on reactive potential energy surfaces: Hyperspherical view and signatures of 'quantum chaos'

Molecular Physics
2001 | Journal article
DOI: 10.1080/00268970010019007
EID:

2-s2.0-0035836328
Contributors: Capecchi, G.; De Fazio, D.; Grossi, G.; Peroncelli, L.; Rahman, N.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

The A+BC reaction by the hyperquantization algorithm: The symmetric hyperspherical parametrization for J &gt; 0

Advances in Quantum Chemistry
2001 | Book
EID:

2-s2.0-0001027135
Contributors: Aquilanti, V.; Cavalli, S.; De Fazio, D.; Volpi, A.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Theory of electronically nonadiabatic reactions: Rotational, coriolis, spin-orbit couplings and the hyperquantization algorithm

International Journal of Quantum Chemistry
2001 | Journal article
DOI: 10.1002/qua.1527
EID:

2-s2.0-0035890634
Contributors: Aquilanti, V.; Cavalli, S.; De Fazio, D.; Volpi, A.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Ab initio dynamics of the He + H<inf>2</inf><sup>+</sup> → HeH<sup>+</sup> + H reaction: A new potential energy surface and quantum mechanical cross-sections

Molecular Physics
2000 | Journal article
DOI: 10.1080/00268970009483387
EID:

2-s2.0-0034634788
Contributors: Palmieri, P.; Puzzarini, C.; Aquilanti, V.; Capecchi, G.; Cavalli, S.; De Fazio, D.; Aguilar, A.; Giménez, X.; Lucas, J.M.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

The He + H <inf>2</inf><sup>+</sup> reaction: A dynamical test on potential energy surfaces for a system exhibiting a pronounced resonance pattern

Chemical Physics Letters
2000 | Journal article
DOI: 10.1016/S0009-2614(00)00067-1
EID:

2-s2.0-0001577683
Contributors: Aquilanti, V.; Capecchi, G.; Cavalli, S.; De Fazio, D.; Palmieri, P.; Puzzarini, C.; Aguilar, A.; Giménez, X.; Lucas, J.M.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Probabilities for the F + H<inf>2</inf> → HF + H reaction by the hyperquantization algorithm: Alternative sequential diagonalization schemes

Physical Chemistry Chemical Physics
1999 | Journal article
DOI: 10.1039/a809492f
EID:

2-s2.0-0033559360
Contributors: Aquilanti, V.; Cavalli, S.; De Fazio, D.; Volpi, A.; Aguilar, A.; Giménez, X.; Lucas, J.M.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

State-to-state three-atom reactive scattering using adiabatic rotation approximations

Physical Chemistry Chemical Physics
1999 | Journal article
DOI: 10.1039/a808342h
EID:

2-s2.0-0033560031
Contributors: De Fazio, D.; Castillo, J.F.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Hyperquantization algorithm. I. Theory for triatomic systems

Journal of Chemical Physics
1998 | Journal article
DOI: 10.1063/1.476979
EID:

2-s2.0-0000492621
Contributors: Aquilanti, V.; Cavalli, S.; De Fazio, D.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Hyperquantization algorithm. II. Implementation for the F+H<inf>2</inf> reaction dynamics including open-shell and spin-orbit interactions

Journal of Chemical Physics
1998 | Journal article
DOI: 10.1063/1.476980
EID:

2-s2.0-0001621971
Contributors: Aquilanti, V.; Cavalli, S.; De Fazio, D.; Volpi, A.; Aguilar, A.; Giménez, X.; Lucas, J.M.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Hyperangular momentum: Applications to atomic and molecular science

New Methods in Quantum Theory
1996 | Journal article
WOSUID:

WOS:A1996BH89G00012
Contributors: Aquilanti, V; Cavalli, S; Coletti, C; DeFazio, D; Grossi, G; Tsipis, CA; Popov, VS; Herschbach, DR; Avery, JS
Source: Self-asserted source
Dario De Fazio via ResearcherID

A semiclassical model of polarisation forces in atomic scattering - II. Electron collisions with neon and argon

Zeitschrift für Physik D Atoms, Molecules and Clusters
1995 | Journal article
DOI: 10.1007/BF01437089
EID:

2-s2.0-0002675158
Contributors: Gianturco, F.A.; Tang, K.T.; Toennies, J.P.; De Fazio, D.; Rodriguez-Ruiz, J.A.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Angular and hyperangular momentum coupling coefficients as hahn polynomials

Journal of Physical Chemistry
1995 | Journal article
EID:

2-s2.0-33751155408
Contributors: Aquilanti, V.; Cavalli, S.; De Fazio, D.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

A semlclassical model for polarization forces in collisions of electrons and positrons with helium atoms

Journal of Physics B: Atomic, Molecular and Optical Physics
1994 | Journal article
DOI: 10.1088/0953-4075/27/2/008
EID:

2-s2.0-5244350881
Contributors: De Fazio, D.; Gianturco, F.A.; Rodriguez-Ruiz, J.A.; Tang, K.T.; Toennies, J.P.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

On a parameter-free model for treating polarisation forces in positron scattering processes

Hyperfine Interactions
1994 | Journal article
DOI: 10.1007/BF02064513
EID:

2-s2.0-0343736100
Contributors: Gianturco, F.A.; DeFazio, D.; Rodriguez-Ruiz, J.A.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Positron scattering from krypton and xenon

Physical Review A
1994 | Journal article
DOI: 10.1103/PhysRevA.50.4819
EID:

2-s2.0-0000892770
Contributors: Gianturco, F.A.; De Fazio, D.
Source: Self-asserted source
Dario De Fazio via Scopus - Elsevier

Peer review (41 reviews for 12 publications/grants)

Review activity for Canadian journal of chemistry. (1)
Review activity for Chemical Society reviews. (1)
Review activity for International journal of quantum chemistry. (6)
Review activity for Journal of chemical physics. (5)
Review activity for Journal of molecular modeling. (1)
Review activity for Journal of the Chinese Chemical Society. (1)
Review activity for Natural sciences. (1)
Review activity for Nature communications (1)
Review activity for Physical chemistry chemical physics. (15)
Review activity for The European physical journal. (1)
Review activity for The journal of physical chemistry. (4)
Review activity for The journal of physical chemistry. (4)
How many people are using ORCID?