Accurate Numerical Computation of Rovibrational G Matrices in Molecules of Arbitrary Size. - María Eugenia Castro; Alfonso Niño; Camelia Muñoz-Caro (ICCSA (1), 2008)

Gmat. A software tool for the computation of the rovibrational G matrix. - María Eugenia Castro; Alfonso Niño; Camelia Muñoz-Caro (Comput. Phys. Commun., 2009)

A metaheuristic approach to the optimal definition of molecule-fixed axes in rovibrational Hamiltonians. - María Eugenia Castro; Alfonso Niño; Camelia Muñoz-Caro (Comput. Phys. Commun., 2010)

Heuristic computation of the rovibrational G matrix in optimized molecule-fixed axes. Gmat 2.1. - María Eugenia Castro; Alfonso Niño; Camelia Muñoz-Caro (Comput. Phys. Commun., 2010)

A uniform object-oriented solution to the eigenvalue problem for real symmetric and Hermitian matrices. - María Eugenia Castro; Javier Díaz; Camelia Muñoz-Caro; Alfonso Niño (Comput. Phys. Commun., 2011)

Implicit and Explicit Solvent Effects on the Global Reactivity and the Density Topological Parameters of the Preferred Conformers of Caespitate. - Andrea Moreno-Ceballos; María Eugenia Castro; Norma A. Caballero; Liliana Mammino; Francisco J. Melendez (Comput., 2024)