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Collect. Czech. Chem. Commun. 2003, 68, 307-330
https://doi.org/10.1135/cccc20030307

A Nonorthogonal Coordinate Approach to Atom-Diatom Parallel Reactive Scattering Calculations

Antonio Laganàa,*, Stefano Crocchiantia, Noelia Faginas Lagoa, Leonardo Pacificia and Gianni Ferrarob

a Dipartimento di Chimica, Università di Perugia, Perugia, Italy
b Istituto di Chimica, Politecnico di Bari, Bari, Italy

Crossref Cited-by Linking

  • Lombardi Andrea, Pirani Fernando, Bartolomei Massimiliano, Coletti Cecilia, Laganà Antonio: Full Dimensional Potential Energy Function and Calculation of State-Specific Properties of the CO+N2 Inelastic Processes Within an Open Molecular Science Cloud Perspective. Front. Chem. 2019, 7. <https://doi.org/10.3389/fchem.2019.00309>
  • Lombardi Andrea, Palazzetti Federico: Chirality in molecular collision dynamics. J. Phys.: Condens. Matter 2018, 30, 063003. <https://doi.org/10.1088/1361-648X/aaa1c8>
  • Rampino Sergio: Configuration-Space Sampling in Potential Energy Surface Fitting: A Space-Reduced Bond-Order Grid Approach. J. Phys. Chem. A 2016, 120, 4683. <https://doi.org/10.1021/acs.jpca.5b10018>
  • Skouteris Dimitrios, Laganà Antonio: Electronuclear multiconfiguration time‐dependent hartree calculations on the confined H atom with mobile electron and nucleus. Int J of Quantum Chemistry 2013, 113, 1333. <https://doi.org/10.1002/qua.24295>
  • Faginas Lago N., Lombardi A., Pacifici L., Costantini A.: Design and implementation of a Grid application for direct calculations of reactive rates. Computational and Theoretical Chemistry 2013, 1022, 103. <https://doi.org/10.1016/j.comptc.2013.08.014>
  • Skouteris Dimitris, Gervasi Osvaldo, Laganà Antonio: Non-Born–Oppenheimer MCTDH calculations on the confined H2+ molecular ion. Chemical Physics Letters 2010, 500, 144. <https://doi.org/10.1016/j.cplett.2010.09.070>
  • Rampino Sergio, Skouteris Dimitris, Laganà Antonio: The O + O2 reaction: quantum detailed probabilities and thermal rate coefficients. Theor Chem Acc 2009, 123, 249. <https://doi.org/10.1007/s00214-009-0524-1>
  • Garcia Ernesto, Sánchez Carlos, Rodríguez Aurelio, Laganà Antonio: MEP–MPE potential energy surface for the Cl + CH4 → HCl + CH3 reaction. Int J of Quantum Chemistry 2006, 106, 623. <https://doi.org/10.1002/qua.20808>
  • Garcia Ernesto, Sánchez Carlos, Saracibar Amaia, Laganà Antonio: A Full Dimensional Quasiclassical Trajectory Study of Cl + CH4 Rate Coefficients. J. Phys. Chem. A 2004, 108, 8752. <https://doi.org/10.1021/jp049154h>
  • Garcia Ernesto, Rodriguez Aurelio, Hernández M. Luz, Laganà Antonio: A LAGROBO Multiproperty Fit to Four-Atom Potential Energy Surfaces:  The OH + HCl Case Study. J. Phys. Chem. A 2003, 107, 7248. <https://doi.org/10.1021/jp030304i>