V. Aquilanti

Vincenzo Aquilanti, V. Aquilanti, N. D. Coutinho, 2017, Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences.

Description of deviations from Arrhenius behavior in chemical kinetics and materials science

V. Aquilanti, V. Carvalho-Silva, N. Coutinho, 2016 .

Uniform description of non-Arrhenius temperature dependence of reaction rates, and a heuristic criterion for quantum tunneling vs classical non-extensive distribution

Vincenzo Aquilanti, Kleber C. Mundim, Heibbe C. B. de Oliveira, 2013 .

Hyperspherical harmonics as Sturmian orbitals in momentum space: A systematic approach to the few-body Coulomb problem

Vincenzo Aquilanti, Gaia Grossi, Cecilia Coletti, 2001 .

Magnetic field modification of ultracold molecule–molecule collisions

R. Krems, V. Aquilanti, Y. V. Suleimanov, 2008, 0808.3592.

Exact Computation and Asymptotic Approximations of 6j Symbols: Illustration of Their Semiclassical Limits

Vincenzo Aquilanti, Mirco Ragni, Robert G. Littlejohn, 2010 .

Exact computation and large angular momentum asymptotics of 3nj symbols: Semiclassical disentangling of spin networks.

Vincenzo Aquilanti, V. Aquilanti, Roger W Anderson, 2008, The Journal of chemical physics.

Orthogonal coordinates for the dynamics of four bodies and for the representation of potentials of tetra-atomic molecules

M. Ragni, V. Aquilanti, A. C. P. Bitencourt, 2007 .

Quantum dynamics of kinematic invariants in tetra- and polyatomic systems

Vincenzo Aquilanti, Robert G. Littlejohn, K. Mitchell, 1998 .

Kinematic rotations for four-centre reactions: mapping tetra-atomic potential energy surfaces on the kinetic sphere

V. Aquilanti, L. Bonnet, S. Cavalli, 1996 .

Coordinates for molecular dynamics: Orthogonal local systems

Vincenzo Aquilanti, V. Aquilanti, S. Cavalli, 1986 .

Magnetic analysis of nearly effusive and moderately supersonic beams of oxygen molecules

V. Aquilanti, F. Pirani, D. Cappelletti, 1995 .

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

V. Aquilanti, D. De Fazio, D. Sokolovski, 2007, The Journal of chemical physics.

Hyperspherical and related types of coordinates for the dynamical treatment of three-body systems

M. Ragni, V. Aquilanti, A. C. P. Bitencourt, 2007 .

Motional states of magnetic molecules and their coherent superposition

V. Aquilanti, F. Pirani, J. Baudon, 2003 .

Hyperquantization algorithm. II. Implementation for the F+H2 reaction dynamics including open-shell and spin-orbit interactions

V. Aquilanti, A. Aguilar, X. Giménez, 1998 .

Asymptotic (semiclassical) equivalence for Schrödinger equations with singular potentials and for related systems of two first‐order equations

V. Aquilanti, S. Cavalli, M. Sevryuk, 1993 .

Asymptotic (short-wave) equivalence of one-dimensional Schrodinger equations by formal canonical transformations and its generalizations

V. Aquilanti, S. Cavalli, M. Sevryuk, 1991 .

Semiclassical mechanics of the Wigner 6j-symbol

Vincenzo Aquilanti, Robert G. Littlejohn, Hal M. Haggard, 2010, 1009.2811.

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.

Vincenzo Aquilanti, V. Aquilanti, D. De Fazio, 2016, The journal of physical chemistry. A.

Projective Ponzano–Regge spin networks and their symmetries

V. Aquilanti, A. Marzuoli, 2018, 1802.09423.

Symmetric Angular Momentum Coupling, the Quantum Volume Operator and the 7-spin Network: A Computational Perspective

Vincenzo Aquilanti, Ana Carla Peixoto Bitencourt, Mirco Ragni, 2014, ICCSA.

Symmetric coupling of angular momenta, quadratic algebras and discrete polynomials

V. Aquilanti, V. Aquilanti, D. Marinelli, 2014, 1401.3591.

Hamiltonian dynamics of a quantum of space: hidden symmetries and spectrum of the volume operator, and discrete orthogonal polynomials

Vincenzo Aquilanti, Annalisa Marzuoli, Dimitri Marinelli, 2013, 1301.1949.

Molecular dynamics simulations and hyperspherical mode analysis of NO in Kr crystals with the use of ab initio potential energy surfaces for the Kr‐NO complex

Vincenzo Aquilanti, Andrea Lombardi, J. C. Palacio, 2008 .

Normal and hyperspherical mode analysis of NO-doped Kr crystals upon Rydberg excitation of the impurity.

V. Aquilanti, A. Lombardi, A Lombardi, 2007, The Journal of chemical physics.

3nj-symbols and harmonic superposition coefficients: an icosahedral abacus

Vincenzo Aquilanti, Cecilia Coletti, V. Aquilanti, 2001 .

d-Dimensional Kepler–Coulomb Sturmians and Hyperspherical Harmonics as Complete Orthonormal Atomic and Molecular Orbitals

Vincenzo Aquilanti, Cecilia Coletti, Danilo Calderini, 2013 .

Hydrogenic elliptic orbitals, Coulomb Sturmian sets, and recoupling coefficients among alternative bases

Vincenzo Aquilanti, V. Aquilanti, S. Cavalli, 2003 .

Quantum mechanics of molecular oxygen clusters: rotovibrational dimer dynamics from realistic potential energy surfacesPresented at the Second International Conference on Photodynamics, Havana, Cuba, February 10???16, 2002.Electronic supplementary information (ESI) available: energy of the dimer in

V. Aquilanti, F. Pirani, E. Carmona-Novillo, 2002 .

Sturmian Orbitals in Quantum Chemistry: An Introduction

V. Aquilanti, Andrea Caligiana, 2003 .

The d-dimensional hydrogen atom: hyperspherical harmonics as momentum space orbitals and alternative Sturmian basis sets

Vincenzo Aquilanti, Cecilia Coletti, V. Aquilanti, 1997 .

Alternative Sturmian bases and momentum space orbitals: an application to the hydrogen molecular ion

Vincenzo Aquilanti, Gaia Grossi, Cecilia Coletti, 1996 .

Molecular-beam study of the water-helium system: features of the isotropic component of the intermolecular interaction and a critical test for the available potential-energy surfaces.

Fernando Pirani, Vincenzo Aquilanti, David Cappelletti, 2005, The Journal of chemical physics.

UV-Photodissociation of Halothane in a Focused Molecular Beam: Space-Speed Slice-Imaging of Competitive Bond Breaking into Spin-Orbit Selected Chlorine and Bromine Atoms.

V. Aquilanti, F. Palazzetti, T. Kasai, 2020, Journal of Physical Chemistry A.

Long-range features of potential energy surfaces for the interaction of fluorine atoms with hydrogen chloride, hydrogen bromide, and hydrogen iodide from crossed molecular beam experiments

V. Aquilanti, F. Pirani, J. Toennies, 1991 .

Hund's cases for rotating diatomic molecules and for atomic collisions: angular momentum coupling schemes and orbital alignment

G. Grossi, V. Aquilanti, V. Aquilanti, 1996 .

The Increase of the Reactivity of Molecular Hydrogen with Hydroxyl Radical from the Gas Phase versus an Aqueous Environment: Quantum Chemistry and Transition State-Theory Calculations

Vincenzo Aquilanti, Andrea Lombardi, Federico Palazzetti, 2019, ICCSA.

Space – and – speed Slice Imaging of Molecular Photodissociation: Stereodirectionality and Chirality

V. Aquilanti, A. Lombardi, F. Palazzetti, 2020 .

Electronic excitation and ionization of hydrogen peroxide–water clusters: Comparison with water clusters

B. Cabral, V. Aquilanti, H. Martiniano, 2011 .

Temperature dependence of chemical and biophysical rate processes: Phenomenological approach to deviations from Arrhenius law

Vincenzo Aquilanti, Kleber C. Mundim, Toshio Kasai, 2010 .

Chirality of weakly bound complexes: the potential energy surfaces for the hydrogen-peroxide-noble-gas interactions.

V. Aquilanti, L. Roncaratti, F. Pirani, 2014, The Journal of chemical physics.

Velocity selection and mass spectrometric detection of an H2S molecular beam and a collisional study of its interactions with rare gases

V. Aquilanti, L. Roncaratti, F. Pirani, 2009 .

Glory-scattering measurement of water-noble-gas interactions: the birth of the hydrogen bond.

Fernando Pirani, Vincenzo Aquilanti, David Cappelletti, 2005, Angewandte Chemie.

Determination of D00 (Ca…HBr) from full and half collision studies. Van der Waals and charge transfer contributions to the formation of Ca…HX (X = Cl, Br) complexes

V. Aquilanti, F. Pirani, Á. G. Ureña, 1996 .

Can molecular hydrogen reduce cytotoxic hydroxyl radical reactivity in aqueous environment ? Combined ab-initio molecular dynamics and electronic structure investigation .

V. Aquilanti, Eduardo Vaz, V. Carvalho-Silva, 2017 .

Discrete analogs of spherical harmonics and their use in quantum mechanics: The hyperquantization algorithm

Vincenzo Aquilanti, Gaia Grossi, V. Aquilanti, 1991 .

Three-body problem in quantum mechanics: hyperspherical elliptic coordinates and harmonic basis sets.

V. Aquilanti, S. Tonzani, 2004, The Journal of chemical physics.

Hyperspherical analysis of kinetic paths for elementary chemical reactions and their angular momentum dependence

V. Aquilanti, S. Cavalli, 1987 .

Nonadiabatic effects in the hyperspherical description of elementary chemical reactions

V. Aquilanti, A. Laganà, G. Grossi, 1984 .

Exact reaction dynamics by the hyperquantization algorithm: integral and differential cross sections for F+H2, including long-range and spin–orbit effects

V. Aquilanti, A. Aguilar, X. Giménez, 2002 .

Semiclassical analysis of Hénon-Heiles coupled oscillators: quasi-periodic and chaotic quantum behavior and the resonance model of unimolecular decay

V. Aquilanti, G. Grossi, S. Cavalli, 1989 .

On hyperspherical mapping and harmonic expansions for potential energy surfaces

V. Aquilanti, A. Laganà, G. Grossi, 1982 .

Anharmonic frequencies and Berry pseudorotation motion in PF5

V. Aquilanti, N. Handy, D. Tew, 2003 .

Hyperangular Momentum: Applications to Atomic and Molecular Science

Vincenzo Aquilanti, Gaia Grossi, Cecilia Coletti, 1996 .

The Hyperquantization Algorithm: The Use of Discrete Analogs of Hyperspherical Harmonics for Reactive Scattering

V. Aquilanti, S. Cavalli, M. Monnerville, 1993 .

Hyperspherical Coordinates for Chemical Reaction Dynamics

V. Aquilanti, S. Cavalli, G. Capecchi, 2000 .

Stereodynamics from the Stereodirected Representation of the Exact QuantumSMatrix: The Li + HF → LiF + H Reaction

Vincenzo Aquilanti, Stefano Crocchianti, V. Aquilanti, 1998 .

Molecular Beam Scattering of Nitrogen Molecules in Supersonic Seeded Beams: A Probe of Rotational Alignment

Fernando Pirani, Vincenzo Aquilanti, David Cappelletti, 1997 .

The asymmetric dimer N2–O2: Characterization of the potential energy surface and quantum mechanical calculation of rotovibrational levels

Fernando Pirani, Vincenzo Aquilanti, Massimiliano Bartolomei, 2003 .

Hydrogenic orbitals in Momentum space and hyperspherical harmonics: Elliptic Sturmian basis sets

Vincenzo Aquilanti, Cecilia Coletti, V. Aquilanti, 2003 .

Stereodynamical Origin of Anti-Arrhenius Kinetics: Negative Activation Energy and Roaming for a Four-Atom Reaction.

Vincenzo Aquilanti, Nayara D Coutinho, Kleber C Mundim, 2015, The journal of physical chemistry letters.

Hydrogenoid orbitals revisited: From Slater orbitals to Coulomb Sturmians#

V. Aquilanti, G. Grossi, S. Cavalli, 2012, Journal of Chemical Sciences.

Sturmian orbitals and molecular structure

V. Aquilanti, Andrea Caligiana, 2004 .

Continuous and Discrete Algorithms in Quantum Chemistry: Polynomial Sets, Spin Networks and Sturmian Orbitals

Vincenzo Aquilanti, Gaia Grossi, Cecilia Coletti, 2013, ICCSA.

Spherical and hyperspherical representation of potential energy surfaces for intermolecular interactions

Vincenzo Aquilanti, Gaia Grossi, Andrea Lombardi, 2011 .

Deformed transition‐state theory: Deviation from Arrhenius behavior and application to bimolecular hydrogen transfer reaction rates in the tunneling regime

Vincenzo Aquilanti, Kleber C. Mundim, Valter H. Carvalho-Silva, 2017, J. Comput. Chem..

Orientation and Polarisation Effects in Reactive Collisions

V. Aquilanti, L. Kovalenko, Z. Alwahabi, 1989 .

Subthreshold Ionization of Weakly Bound Complexes: StochasticAnalysis of the Role of the Rydberg Quasicontinuum

V. Aquilanti, B. Brunetti, F. Vecchiocattivi, 1991 .

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

V. Aquilanti, K. C. Mundim, V. Aquilanti, 2014, The journal of physical chemistry. A.

The Invariance Approach to Structure and Dynamics: Classical Hyperspherical Coordinates

Noelia Faginas Lago, Vincenzo Aquilanti, Andrea Lombardi, 2019, ICCSA.

Screen representation of structural properties of alanine in polypeptide chains

Vincenzo Aquilanti, Andrea Lombardi, Federico Palazzetti, 2019, PROCEEDINGS OF THE INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2019 (ICCMSE-2019).

Molecular Dynamics of Chiral Molecules in Hyperspherical Coordinates

Vincenzo Aquilanti, Andrea Lombardi, Federico Palazzetti, 2019, ICCSA.

Screens Displaying Structural Properties of Aminoacids in Polypeptide Chains: Alanine as a Case Study

Vincenzo Aquilanti, Andrea Lombardi, Federico Palazzetti, 2019, ICCSA.

Specific heats of clusters near a phase transition: Energy partitions among internal modes

Vincenzo Aquilanti, Andrea Lombardi, Ersin Yurtsever, 2006 .

Isomerization dynamics and thermodynamics of ionic argon clusters.

F. Gadéa, V. Aquilanti, F. Calvo, 2006, The Journal of chemical physics.

Invariant energy partitions in chemical reactions and cluster dynamics simulations

Vincenzo Aquilanti, Andrea Lombardi, Ersin Yurtsever, 2006 .

Hyperangular momenta and energy partitions in multidimensional many-particle classical mechanics : The invariance approach to cluster dynamics

Vincenzo Aquilanti, Andrea Lombardi, V. Aquilanti, 2005 .

Phase-space invariants as indicators of the critical behavior of nanoaggregates.

Vincenzo Aquilanti, Andrea Lombardi, Ersin Yurtsever, 2004, Physical review letters.

Hyperspherical harmonics for polyatomic systems: basis set for collective motions

Vincenzo Aquilanti, Andrea Lombardi, Robert G. Littlejohn, 2004 .

Collective hyperspherical coordinates for polyatomic molecules and clusters

Vincenzo Aquilanti, Andrea Lombardi, Robert G. Littlejohn, 2000 .

Hyperspherical harmonics for polyatomic systems: Basis set for kinematic rotations

Vincenzo Aquilanti, Andrea Lombardi, Robert G. Littlejohn, 2002 .

Potential Energy Surface for the Interaction of Helium with the Chiral Molecule Propylene Oxide

Noelia Faginas Lago, Fernando Pirani, Patrícia R. P. Barreto, 2018, ICCSA.

The Astrochemical Observatory: Experimental and Computational Focus on the Chiral Molecule Propylene Oxide as a Case Study

Fernando Pirani, Vincenzo Aquilanti, Andrea Lombardi, 2017, ICCSA.

Structural Properties and Torsional Dynamics of Peroxides and Persulfides

M. Ragni, G. S. Maciel, V. Aquilanti, 2009 .

Alkyl peroxides: Effect of substituent groups on the torsional mode around the OO bond

Vincenzo Aquilanti, Mirco Ragni, Glauciete S. Maciel, 2007 .

Body frames and frame singularities for three-atom systems

K. Mitchell, V. Aquilanti, R. Littlejohn, 1998 .

INTERNAL SPACES, KINEMATIC ROTATIONS, AND BODY FRAMES FOR FOUR-ATOM SYSTEMS

K. Mitchell, V. Aquilanti, R. Littlejohn, 1998 .

Probabilities for the F+H2→HF+H reaction by the hyperquantization algorithm: alternative sequential diagonalization schemes

V. Aquilanti, A. Aguilar, X. Giménez, 1999 .

The N2–N2 system: An experimental potential energy surface and calculated rotovibrational levels of the molecular nitrogen dimer

Fernando Pirani, Vincenzo Aquilanti, Massimiliano Bartolomei, 2002 .

A magnetically selected beam of chlorine atoms

V. Aquilanti, F. Pirani, D. Cappelletti, 1992 .

The $$ {\mathbf{HI}}\,\varvec{ + }\,{\mathbf{OH}}\, \to \,{\mathbf{H}}_{{\mathbf{2}}} {\mathbf{O}}\, + \,{\mathbf{I}} $$ Reaction by First-Principles Molecular Dynamics: Stereodirectional and anti-Arrhenius Kinetics

V. Aquilanti, H. Oliveira, V. Carvalho-Silva, 2017 .

Stereodirectional Origin of anti-Arrhenius Kinetics for a Tetraatomic Hydrogen Exchange Reaction: Born-Oppenheimer Molecular Dynamics for OH + HBr.

Vincenzo Aquilanti, Nayara D Coutinho, Kleber C Mundim, 2016, The journal of physical chemistry. A.

The HI + OH → H2O + I Reaction by First-Principles Molecular Dynamics: Stereodirectional and anti-Arrhenius Kinetics

Vincenzo Aquilanti, Valter H. Carvalho-Silva, Heibbe C. B. de Oliveira, 2017, ICCSA.

Spherical and hyperspherical harmonics representation of van der Waals aggregates

Alessandra F. Albernaz, Vincenzo Aquilanti, Gaia Grossi, 2016, 2004.06527.

Combinatorics of angular momentum recoupling theory: spin networks, their asymptotics and applications

Vincenzo Aquilanti, Mirco Ragni, Annalisa Marzuoli, 2009 .

The Screen Representation of Vector Coupling Coefficients or Wigner 3j Symbols: Exact Computation and Illustration of the Asymptotic Behavior

Vincenzo Aquilanti, Ana Carla Peixoto Bitencourt, Mirco Ragni, 2014, ICCSA.

Guest species trapped inside carbon nanotubes

V. Aquilanti, N. Sathyamurthy, D. Fazio, 2009 .

From statistical thermodynamics to molecular kinetics: the change, the chance and the choice

Vincenzo Aquilanti, Kleber C. Mundim, Valter H. Carvalho-Silva, 2018, Rendiconti Lincei. Scienze Fisiche e Naturali.

Statistics of partitions of the kinetic energy of small nanoclusters

V. Aquilanti, A. Lombardi, M. Sevryuk, 2008 .

Evaluating and elucidating the reactivity of OH radicals with atmospheric organic pollutants: Reaction kinetics and mechanisms by machine learning

V. Aquilanti, Jefferson R. Dias-Silva, F. Sanches-Neto, 2022, Atmospheric Environment.

Excitation of Cd(53P1) and Cd(51P1) in Na+-Cd Collisions: Optical Polarization and Population of Magnetic Sublevels

V. Aquilanti, G. Grossi, P. Casavecchia, 1980 .

Exact and Asymptotic Computations of Elementary Spin Networks: Classification of the Quantum-Classical Boundaries

Vincenzo Aquilanti, Ana Carla Peixoto Bitencourt, Mirco Ragni, 2012, ICCSA.

Statistical properties of energy levels in quantum reaction dynamics: a case study

V. Aquilanti, G. Grossi, Leonardo Peroncelli *, 2004 .

Interaction of O2 with CH4, CF4, and CCl4 by Molecular Beam Scattering Experiments and Theoretical Calculations.

V. Aquilanti, F. Pirani, D. Cappelletti, 2016, The journal of physical chemistry. A.

On the origin of the forward peak and backward oscillations in the F + H(2)(v = 0) --> HF(v' = 2) + H reaction.

V. Aquilanti, D. Sokolovski, D. Fazio, 2007, Physical chemistry chemical physics : PCCP.

Temperature effect on water dynamics in tetramer phosphofructokinase matrix and the super-arrhenius respiration rate

V. Aquilanti, T. Kasai, Hsiao-Ching Yang, 2021, Scientific reports.

Quantum dynamics of clusters on experimental potential energy surfaces: Triplet and quintet O2-O2 surfaces and dimers of para-N2 with ortho- and para-N2 and with O2

V. Aquilanti, F. Pirani, E. Carmona-Novillo, 2004 .

Nonadiabatic Behaviour in Atomic and Molecular Processes: The Ridge Effect in Mode Transitions

V. Aquilanti, G. Grossi, S. Cavalli, 1985 .

Unimolecular dissociation and resonances: adiabatic, sudden and statistical limits and comparison with RRKM and quantum model calculations for formaldehyde

V. Aquilanti, S. Cavalli, 1987 .

Representation of potential energy surfaces by discrete polynomials: proton transfer in malonaldehyde

V. Barone, C. Adamo, V. Aquilanti, 2000 .