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Semiempirical Potential in Kinetics Calculations on the HC3N + CN Reaction

Emília Valença Ferreira de Aragão1,2, Luca Mancini2, Noelia Faginas-Lago2

  • 1Master-Tec Srl, Via Sicilia 41, 06128 Perugia, Italy.

Molecules (Basel, Switzerland)
|April 12, 2022
PubMed

Keywords:
Improved Lennard–Jonesab initio calculationsastrochemistrychemical calculationschemical reactionssemiempirical potential energy surface

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