P. Barreto

发表

A computational investigation of the multiple channels of the NF2 + F reaction.

J. Martins, R. Gargano, Simone S. Ramalho, 2009, The journal of physical chemistry. A.

On the semiclassical initial value calculation of thermal rate coefficients for the N+N2 reaction.

A. Laganà, N. F. Lago, R. Gargano, 2006, The Journal of chemical physics.

The astrochemical observatory: The interaction between helium and the chiral molecule propylene oxide

V. Aquilanti, F. Pirani, A. Lombardi, 2018 .

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 reactions BF3 + BX, where X = H or N

R. Gargano, Alessandra F. A. Vilela, P. Barreto, 2005 .

Theoretical rate constants for the reaction BF2 + NF = BF3 + N of importance in boron nitride chemistry

R. Gargano, Alessandra F. A. Vilela, Simone S. Ramalho, 2005 .

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.

Reaction rate of H2CO (1A) and (3A) via TST

P. Barreto, Henrique O Euclides, Henrique O. Euclides, 2019, 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.

Umbrella motion of the methyl cation, radical, and anion molecules

F. V. Prudente, A. Bitencourt, M. Ragni, 2016 .

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.

Intermolecular interactions of H2S with rare gases from molecular beam scattering in the glory regime and from ab initio calculations.

V. Aquilanti, F. Pirani, D. Cappelletti, 2006, The Journal of chemical physics.

Thermal rate constant calculation of the NF + F reactive system multiple arrangements.

L. Roncaratti, G. M. e Silva, R. Gargano, 2011, The journal of physical chemistry. A.

Thermochemistry of molecules in the B/F/H/N system

R. Gargano, Alessandra F. A. Vilela, P. Barreto, 2005 .

Umbrella motion of the methyl cation, radical, and anion molecules

Tamara Posati, Mirco Ragni, F. V. Prudente, 2016 .

Umbrella motion of the methyl cation, radical, and anion molecules

F. V. Prudente, M. Ragni, P. Barreto, 2016 .

A quantum chemical study of H2S2: Intramolecular torsional mode and intermolecular interactions with rare gases.

Vincenzo Aquilanti, Andrea Lombardi, Federico Palazzetti, 2008, The Journal of chemical physics.

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.

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 .

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.

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

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

Thermal rate coefficients calculation for the H+ + LiH reaction

J. Martins, R. Gargano, G. M. Silva, 2010 .

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.

Ab initio studies of hydrogen-bonded complexes: The H2O dimer, trimer and H2OCO

R. Gargano, Alessandra F. A. Vilela, P. Barreto, 2006 .

Range and strength of intermolecular forces for van der Waals complexes of the type H2Xn-Rg, with X = O, S and n = 1,2

Gaia Grossi, Andrea Lombardi, Federico Palazzetti, 2010 .

Orthogonal coordinates and hyperquantization algorithm. The NH3 and H3O+ umbrella inversion levels.

M. Ragni, A. C. P. Bitencourt, A. Lombardi, 2009, The journal of physical chemistry. A.