Interactions of Hydrogen Molecules with Halogen-Containing Diatomics from Ab Initio Calculations: Spherical-Harmonics Representation and Characterization of the Intermolecular Potentials
Albernaz, Alessandra F, Aquilanti, Vincenzo, Barreto, Patricia R. P, Caglioti, Concetta, Cruz, Ana Claudia P. S, Grossi, Gaia, Lombardi, Andrea, Palazzetti, Federico
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.07.2016)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (14.07.2016)
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Journal Article
Spherical harmonics representation of the potential energy surface for the H2⋯H2 van der Waals complex
Barreto, Patricia R. P., Cruz, Ana Claudia P. S., Euclides, Henrique O., Albernaz, Alessandra F., Correa, Eberth
Published in Journal of molecular modeling (01.10.2020)
Published in Journal of molecular modeling (01.10.2020)
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Journal Article
A Quantum Chemical Approach for the Characterization of the Interaction Potential of Propylene Oxide with Rare-Gas Atoms (He, Ne, Ar)
Barreto, Patricia R P, Ana Claudia P S Cruz, Euclides, Henrique O, Albernaz, Alessandra F, Palazzetti, Federico, Pirani, Fernando
Published in arXiv.org (28.04.2021)
Published in arXiv.org (28.04.2021)
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Journal Article
Spherical and hyperspherical harmonics representation of van der Waals aggregates
Lombardi, Andrea, Palazzetti, Federico, Aquilanti, Vincenzo, Grossi, Gaia, Albernaz, Alessandra F, Barreto, Patricia R P, Ana Claudia P S Cruz
Published in arXiv.org (14.04.2020)
Published in arXiv.org (14.04.2020)
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Journal Article
The spherical-harmonics representation for the interaction between diatomic molecules: the general case and applications to CO-CO and CO-HF
Barreto, Patricia R P, Ana Claudia P S Cruz, Barreto, Rodrigo L P, Palazzetti, Federico, Albernaz, Alessandra F, Lombardi, Andrea, Maciel, Glauciete S, Aquilanti, Vincenzo
Published in arXiv.org (04.06.2017)
Published in arXiv.org (04.06.2017)
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Paper
Journal Article
Interactions of Hydrogen Molecules with Halogen-Containing Diatomics from Ab Initio Calculations: Spherical-Harmonics Representation and Characterization of the Intermolecular Potentials
Albernaz, Alessandra F, Aquilanti, Vincenzo, Barreto, Patricia R P, Caglioti, Concetta, Ana Claudia P S Cruz, Grossi, Gaia, Lombardi, Andrea, Palazzetti, Federico
Published in arXiv.org (07.05.2017)
Published in arXiv.org (07.05.2017)
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Paper
Journal Article
The spherical-harmonics representation for the interaction between diatomic molecules: The general case and applications to CO CO and CO HF
Barreto, Patricia R.P., Cruz, Ana Claudia P.S., Barreto, Rodrigo L.P., Palazzetti, Federico, Albernaz, Alessandra F., Lombardi, Andrea, Maciel, Glauciete S., Aquilanti, Vincenzo
Published in Journal of molecular spectroscopy (01.07.2017)
Published in Journal of molecular spectroscopy (01.07.2017)
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Journal Article