Vincenzo Aquilanti

Publication Activity (10 Years)

Years Active: 2012-2019
Publications (10 Years): 16

Top Topics

Geometric Interpretation

Exact Computation

Chemical Reactions

Top Venues

Publications

Valter H. Carvalho-Silva, Eduardo C. Vaz, Nayara D. Coutinho, Hikaru Kobayashi, Yuki Kobayashi, Toshio Kasai, Federico Palazzetti, Andrea Lombardi, Vincenzo Aquilanti
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. ICCSA (6) (2019)
Cecilia Coletti, Federico Palazzetti, Roger W. Anderson, Vincenzo Aquilanti
Hypergeometric Polynomials, Hyperharmonic Discrete and Continuous Expansions: Evaluations, Interconnections, Extensions. ICCSA (6) (2019)
Andrea Lombardi, Noelia Faginas Lago, Vincenzo Aquilanti
The Invariance Approach to Structure and Dynamics: Classical Hyperspherical Coordinates. ICCSA (6) (2019)
Andrea Lombardi, Federico Palazzetti, Vincenzo Aquilanti
Molecular Dynamics of Chiral Molecules in Hyperspherical Coordinates. ICCSA (6) (2019)
Concetta Caglioti, Robenilson Ferreira Dos Santos, Andrea Lombardi, Federico Palazzetti, Vincenzo Aquilanti
Screens Displaying Structural Properties of Aminoacids in Polypeptide Chains: Alanine as a Case Study. ICCSA (6) (2019)
Patrícia R. P. Barreto, Alessandra F. Albernaz, Vincenzo Aquilanti, Noelia Faginas Lago, Gaia Grossi, Andrea Lombardi, Federico Palazzetti, Fernando Pirani
Potential Energy Surface for the Interaction of Helium with the Chiral Molecule Propylene Oxide. ICCSA (5) (2018)
Nayara D. Coutinho, Vincenzo Aquilanti, Flávio O. Sanches-Neto, Eduardo C. Vaz, Valter H. Carvalho-Silva
First-Principles Molecular Dynamics and Computed Rate Constants for the Series of OH-HX Reactions (X = H or the Halogens): Non-Arrhenius Kinetics, Stereodynamics and Quantum Tunnel. ICCSA (5) (2018)
Nayara D. Coutinho, Flávio O. Sanches-Neto, Valter H. Carvalho-Silva, Heibbe C. B. de Oliveira, Luiz A. Ribeiro, Vincenzo Aquilanti
Kinetics of the OH+HCl→H2O+Cl reaction: Rate determining roles of stereodynamics and roaming and of quantum tunneling. J. Comput. Chem. 39 (30) (2018)
Nayara D. Coutinho, Valter H. Carvalho-Silva, Heibbe C. B. de Oliveira, Vincenzo Aquilanti
O + I Reaction by First-Principles Molecular Dynamics: Stereodirectional and anti-Arrhenius Kinetics. ICCSA (5) (2017)
Valter H. Carvalho-Silva, Vincenzo Aquilanti, Heibbe C. B. de Oliveira, Kleber C. Mundim
Deformed transition-state theory: Deviation from Arrhenius behavior and application to bimolecular hydrogen transfer reaction rates in the tunneling regime. J. Comput. Chem. 38 (3) (2017)
Vincenzo Aquilanti, Manuela S. Arruda, Cecilia Coletti, Robert G. Littlejohn, Robenilson F. Santos
Combinatorial and Geometrical Origins of Regge Symmetries: Their Manifestations from Spin-Networks to Classical Mechanisms, and Beyond. ICCSA (5) (2017)
Vincenzo Aquilanti, Concetta Caglioti, Andrea Lombardi, Glauciete S. Maciel, Federico Palazzetti
Screens for Displaying Chirality Changing Mechanisms of a Series of Peroxides and Persulfides from Conformational Structures Computed by Quantum Chemistry. ICCSA (5) (2017)
Andrea Lombardi, Federico Palazzetti, Vincenzo Aquilanti, Fernando Pirani, Piergiorgio Casavecchia
The Astrochemical Observatory: Experimental and Computational Focus on the Chiral Molecule Propylene Oxide as a Case Study. ICCSA (5) (2017)
Roger W. Anderson, Vincenzo Aquilanti
Spherical and Hyperbolic Spin Networks: The q-extensions of Wigner-Racah 6j Coefficients and General Orthogonal Discrete Basis Sets in Applied Quantum Mechanics. ICCSA (5) (2017)
Manuela S. Arruda, Robenilson F. Santos, Dimitri Marinelli, Vincenzo Aquilanti
Spin-Coupling Diagrams and Incidence Geometry: A Note on Combinatorial and Quantum-Computational Aspects. ICCSA (1) (2016)
Andrea Lombardi, Noelia Faginas Lago, Gaia Grossi, Federico Palazzetti, Vincenzo Aquilanti
Collisional Energy Exchange in CO _2 -N _2 Gaseous Mixtures. ICCSA (1) (2016)
Ana Carla Peixoto Bitencourt, Mirco Ragni, Robert G. Littlejohn, Roger W. Anderson, Vincenzo Aquilanti
The Screen Representation of Vector Coupling Coefficients or Wigner 3j Symbols: Exact Computation and Illustration of the Asymptotic Behavior. ICCSA (1) (2014)
Dimitri Marinelli, Annalisa Marzuoli, Vincenzo Aquilanti, Roger W. Anderson, Ana Carla Peixoto Bitencourt, Mirco Ragni
Symmetric Angular Momentum Coupling, the Quantum Volume Operator and the 7-spin Network: A Computational Perspective. ICCSA (1) (2014)
Danilo Calderini, Cecilia Coletti, Gaia Grossi, Vincenzo Aquilanti
Continuous and Discrete Algorithms in Quantum Chemistry: Polynomial Sets, Spin Networks and Sturmian Orbitals. ICCSA (2) (2013)
Mirco Ragni, Robert G. Littlejohn, Ana Carla Peixoto Bitencourt, Vincenzo Aquilanti, Roger W. Anderson
The Screen Representation of Spin Networks: Images of 6j Symbols and Semiclassical Features. ICCSA (2) (2013)
Roger W. Anderson, Vincenzo Aquilanti, Ana Carla Peixoto Bitencourt, Dimitri Marinelli, Mirco Ragni
The Screen Representation of Spin Networks: 2D Recurrence, Eigenvalue Equation for 6j Symbols, Geometric Interpretation and Hamiltonian Dynamics. ICCSA (2) (2013)
Ana Carla Peixoto Bitencourt, Annalisa Marzuoli, Mirco Ragni, Roger W. Anderson, Vincenzo Aquilanti
Exact and Asymptotic Computations of Elementary Spin Networks: Classification of the Quantum-Classical Boundaries. ICCSA (1) (2012)