Phosphorus-centered ion-molecule reactions: benchmark ab initio characterization of the potential energy surfaces of the X- + PH2Y [X, Y = F, Cl, Br, I] systems.

Ballay, Boldizsár; Szucs, Tímea; Papp, Dóra; Czakó, Gábor

Phosphorus-centered ion-molecule reactions: benchmark ab initio characterization of the potential energy surfaces of the X^- + PH₂Y [X, Y = F, Cl, Br, I] systems.

Ballay, Boldizsár; Szucs, Tímea; Papp, Dóra; Czakó, Gábor.

Afiliação

Ballay B; MTA-SZTE Lendület Computational Reaction Dynamics Research Group, Interdisciplinary Excellence Centre and Department of Physical Chemistry and Materials Science, Institute of Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged H-6720, Hungary. dorapapp@chem.u-szeged.hu.
Szucs T; MTA-SZTE Lendület Computational Reaction Dynamics Research Group, Interdisciplinary Excellence Centre and Department of Physical Chemistry and Materials Science, Institute of Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged H-6720, Hungary. dorapapp@chem.u-szeged.hu.
Papp D; MTA-SZTE Lendület Computational Reaction Dynamics Research Group, Interdisciplinary Excellence Centre and Department of Physical Chemistry and Materials Science, Institute of Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged H-6720, Hungary. dorapapp@chem.u-szeged.hu.
Czakó G; MTA-SZTE Lendület Computational Reaction Dynamics Research Group, Interdisciplinary Excellence Centre and Department of Physical Chemistry and Materials Science, Institute of Chemistry, University of Szeged, Rerrich Béla tér 1, Szeged H-6720, Hungary. dorapapp@chem.u-szeged.hu.

Phys Chem Chem Phys ; 25(42): 28925-28940, 2023 Nov 01.

Article em En | MEDLINE | ID: mdl-37855143

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: Phys Chem Chem Phys Assunto da revista: BIOFISICA / QUIMICA Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Hungria

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