Alessandra F. Albernaz

发表

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.

A SAPT Study of the H2O X2 Complexes; X = H, N and F

Patrícia R. P. Barreto, Alessandra F. Albernaz, Amedeo Capobianco, 2012, 2012 12th International Conference on Computational Science and Its Applications.

An Extensive Theoretical Study for the CN + C2H4 Reaction

Nadia Balucani, Patrícia R. P. Barreto, Alessandra F. Albernaz, 2012, 2012 12th International Conference on Computational Science and Its Applications.

Potential energy surfaces for van der waals complexes of rare gases with H2S and H2S2: Extension to xenon interactions and hyperspherical harmonics representation

Alessandra F. Albernaz, Federico Palazzetti, F. Palazzetti, 2012 .

Hyperspherical representation of potential energy surfaces: intermolecular interactions in tetra-atomic and penta-atomic systems

Alessandra F. Albernaz, Vincenzo Aquilanti, Gaia Grossi, 2011 .

A combined crossed molecular beams and theoretical study of the reaction CN + C2H4

Nadia Balucani, Dimitrios Skouteris, Alessandra F. Albernaz, 2015 .

Spherical and hyperspherical harmonics representation of van der Waals aggregates

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

The spherical-harmonics representation for the interaction between diatomic molecules: The general case and applications to COCO and COHF

Alessandra F. Albernaz, Vincenzo Aquilanti, Andrea Lombardi, 2017 .

Potential energy surfaces for interactions of H2O with H2, N2 and O2: A hyperspherical harmonics representation, and a minimal model for the H2O–rare-gas-atom systems☆

Alessandra F. Albernaz, Vincenzo Aquilanti, Gaia Grossi, 2012 .

Long-range strength and anisotropies of molecule-molecule interactions: Ab initio calculations, spherical harmonics expansions, and the second virial coefficient for the H2⋯F2 gaseous mixture

Alessandra F. Albernaz, V. Aquilanti, E. Correa, 2021 .

Hyperspherical Coordinate Potential Energy Surface for the He3Complex

Alessandra F. Albernaz, P. Barreto, 2016 .

Theoretical study of the H + HCN → H + HNC process

Alessandra F. Albernaz, E. Correa, Patricia R. P. Barreto, 2017, Journal of Molecular Modeling.

A Quantum Chemical Approach for the Characterization of the Interaction Potential of Propylene Oxide with Rare-Gas Atoms (He, Ne, Ar)

Alessandra F. Albernaz, F. Pirani, F. Palazzetti, 2021, 2104.13670.

An extensive investigation of reactions involved in the nitrogen trifluoride dissociation

Alessandra F. Albernaz, R. Gargano, G. M. Silva, 2013 .

Spherical harmonics representation of the potential energy surface for the H2⋯H2 van der Waals complex

Alessandra F. Albernaz, E. Correa, P. Barreto, 2020, Journal of Molecular Modeling.

Gas phase Boudouard reactions involving singlet–singlet and singlet–triplet CO vibrationally excited states: implications for the non-equilibrium vibrational kinetics of CO/CO2 plasmas

Alessandra F. Albernaz, V. Aquilanti, A. Lombardi, 2017 .

The spherical-harmonics representation for the interaction between diatomic molecules: The general case and applications to COCO and COHF

Alessandra F. Albernaz, R. L. Barreto, G. S. Maciel, 2017, 1706.01049.

Rovibrational energy and spectroscopic constant calculations of CH 4 ⋯ CH4, CH 4 ⋯ H2 O, CH 4 ⋯ CHF3, and H 2O ⋯ CHF3 dimers

Alessandra F. Albernaz, J. Martins, R. Gargano, 2014, Journal of Molecular Modeling.

Rate constant calculations of the C2 + HCN → CCCN+H addition via the Master Equation

Alessandra F. Albernaz, E. Correa, P. Barreto, 2017, Journal of Molecular Modeling.

Kinetic Mechanism Study of Reaction C2H + C2H2via TST

Alessandra F. Albernaz, Washington Barbosa da Silva, 2016 .

Kinetics of the reaction of chloromethane with cyano radical

Alessandra F. Albernaz, N. Morgon, Caio M. Porto, 2022, Chemical Physics Letters.

Thermal rate constant for the C( 3 P) + OH(X 2 Π) → CO(X 1 Σ) + H( 2 S) reaction using stochastic energy grained master equation method

Alessandra F. Albernaz, E. Correa, P. Barreto, 2019, International Journal of Chemical Kinetics.

Isocyanoacetylene and cyanoacetylene formation study from C 2 H 2 + CN reaction

Alessandra F. Albernaz, E. Correa, W. B. da Silva, 2022, International Journal of Chemical Kinetics.

Kinetics and mechanism of the CH3CH2OH with H2O reaction

Alessandra F. Albernaz, E. Correa, P. Barreto, 2019, Chemical Physics Letters.

Theoretical studies of $${{\mathrm{{CN} + {H}}_{2}({\mathrm{D}}_{2})}}$$CN+H2(D2) reactions: competition between H(D)-abstractions in $${\mathrm{H(D) + HCN(DCN)/HNC(DNC)}} $$H(D)+HCN(DCN)/HNC(DNC) channels

Alessandra F. Albernaz, P. Barreto, 2019, Theoretical Chemistry Accounts.

Predicting New Pathways for the Reaction CN + C2H2

Alessandra F. Albernaz, R. Gargano, G. M. Silva, 2016 .