APUAMA: a software tool for reaction rate calculations von Euclides, Henrique O., P. Barreto, Patricia R.

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Reaction rate of H2CO (1A) and (3A) via TST von Euclides, Henrique O., Barreto, Patricia R. P.

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Interactions of Hydrogen Molecules with Halogen-Containing Diatomics from Ab Initio Calculations: Spherical-Harmonics Representation and Characterization of the Intermolecular Pote... von Albernaz, Alessandra F, Aquilanti, Vincenzo, Barreto, Patricia R. P, Caglioti, Concetta, Cruz, Ana Claudia P. S, Grossi, Gaia, Lombardi, Andrea, Palazzetti, Federico

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Spherical harmonics representation of the potential energy surface for the H2⋯H2 van der Waals complex von Barreto, Patricia R. P., Cruz, Ana Claudia P. S., Euclides, Henrique O., Albernaz, Alessandra F., Correa, Eberth

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The Hydrogen Peroxide−Rare Gas Systems:  Quantum Chemical Calculations and Hyperspherical Harmonic Representation of the Potential Energy Surface for Atom−Floppy Molecule Interacti... von Barreto, Patricia R. P, Vilela, Alessandra F. A, Lombardi, Andrea, Maciel, Glauciete S, Palazzetti, Federico, Aquilanti, Vincenzo

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Theoretical study of intermolecular interaction energy for F2⋯F2 complex von Albernaz, Alessandra F., Barreto, Patricia R. P., Correa, Eberth

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Gas phase Boudouard reactions involving singlet–singlet and singlet–triplet CO vibrationally excited states: implications for the non-equilibrium vibrational kinetics of CO/CO2 pla... von Barreto, Patricia R. P., Euclides, Henrique de O., Albernaz, Alessandra F., Aquilanti, Vincenzo, Capitelli, Mario, Grossi, Gaia, Lombardi, Andrea, Macheret, Sergey, Palazzetti, Federico

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Thermal rate constant for the C(3P) + OH(X2Π) → CO(X1Σ) + H(2S) reaction using stochastic energy grained master equation method von Albernaz, Alessandra F., da Silva, Washington B., Barreto, Patricia R. P., Correa, Eberth

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A quantum chemical study of H2S2: Intramolecular torsional mode and intermolecular interactions with rare gases von Maciel, Glauciete S, Barreto, Patricia R P, Palazzetti, Federico, Lombardi, Andrea, Aquilanti, Vincenzo

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A Computational Investigation of the Multiple Channels of the NF2 + F Reaction von Ramalho, Simone S, Barreto, Patrícia R. P, Martins, João B. L, Magela e Silva, Geraldo, Gargano, Ricardo

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Rate constant calculations of the C2 + HCN → CCCN+H addition via the Master Equation von da Silva, Washington Barbosa, Albernaz, Alessandra F., Barreto, Patricia R. P., Correa, Eberth

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Hyperspherical representation of potential energy surfaces: intermolecular interactions in tetra-atomic and penta-atomic systems von Barreto, Patricia R P, Albernaz, Alessandra F, Palazzetti, Federico, Lombardi, Andrea, Grossi, Gaia, Aquilanti, Vincenzo

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Range and strength of intermolecular forces for van der Waals complexes of the type H2Xn-Rg, with X = O, S and n = 1,2 von Barreto, Patrícia R. P., Palazzetti, F., Grossi, G., Lombardi, A., Maciel, G. S., Vilela, A. F. A.

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Potential energy surfaces for van der waals complexes of rare gases with H2S and H2S2: Extension to xenon interactions and hyperspherical harmonics representation von Barreto, Patrícia R. P., Albernaz, Alessandra F., Palazzetti, Federico

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Erratum to: Theoretical study of the H + HCN → H + HNC process von Correa, Eberth, da Silva, Washington Barbosa, Barreto, Patricia R. P., Albernaz, Alessandra F.

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Theoretical study of the H + HCN → H + HNC process von Correa, Eberth, da Silva, Washington Barbosa, P. Barreto, Patricia R., Albernaz, Alessandra F.

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Intermolecular interactions of H2S with rare gases from molecular beam scattering in the glory regime and from ab initio calculations von Cappelletti, David, Vilela, Alessandra F A, Barreto, Patricia R P, Gargano, Ricardo, Pirani, Fernando, Aquilanti, Vincenzo

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Theoretical study of intermolecular interaction energy for $$\textrm{F}_{2}\cdots \textrm{F}_{2}$$ complex von Albernaz, Alessandra F., Barreto, Patricia R. P., Correa, Eberth

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Thermal Rate Constant Calculation of the NF + F Reactive System Multiple Arrangements von Ramalho, Simone S, da Cunha, Wiliam F, Barreto, Patrícia R. P, Neto, Pedro H. O, Roncaratti, Luiz F, e Silva, Geraldo Magela, Gargano, Ricardo

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Theoretical studies of $${{\mathrm{{CN} + {H}}_{2}({\mathrm{D}}_{2})}}$$ reactions: competition between H(D)-abstractions in $${\mathrm{H(D) + HCN(DCN)/HNC(DNC)}} $$ channels von Albernaz, Alessandra F., Barreto, Patricia R. P.

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