MANUEL
FERNANDEZ NUÑEZ
Forscher in der Zeit 1991-2011
Victor Jesús
García Hernández
Publikationen, an denen er mitarbeitet Victor Jesús García Hernández (5)
2022
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Introducing a new model based on electronegativity equalization principle for the analysis of the natural bond orbital reactivity in the c-DFT background
International Journal of Quantum Chemistry, Vol. 122, Núm. 23
2020
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Spatially restricted Double Z-Simplified Box Orbital basis sets: Optimization and comparison with some standard basis sets
International Journal of Quantum Chemistry, Vol. 120, Núm. 6
2018
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Simplified box orbitals for molecules containing atoms beyond Ar
Molecular Physics, Vol. 116, Núm. 18, pp. 2310-2320
2017
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Software to obtain accurate Gaussian expansions for a wide range of radial functions
Journal of Molecular Modeling, Vol. 23, Núm. 5
2016
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Simplified Box Orbitals (SBO) for H To Ar atoms: Exact expressions, SBO-3G approximations, and relations with the ZDO approximation
International Journal of Quantum Chemistry, Vol. 116, Núm. 17, pp. 1303-1312