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