Ivan Infante
Affiliations: | 2002-2006 | Chemistry and Pharmaceutical Sciences | Vrije Universiteit Amsterdam, Amsterdam, Netherlands |
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"Ivan Infante"
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Publications
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| van Beek B, Zito J, Visscher L, et al. (2022) CAT: A Compound Attachment Tool for the Construction of Composite Chemical Compounds. Journal of Chemical Information and Modeling. 62: 5525-5535 |
| Zapata F, Ridder L, Hidding J, et al. (2019) QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry. Journal of Chemical Information and Modeling |
| Azpiroz JM, Ugalde JM, Infante I. (2014) Benchmark Assessment of Density Functional Methods on Group II-VI MX (M = Zn, Cd; X = S, Se, Te) Quantum Dots. Journal of Chemical Theory and Computation. 10: 76-89 |
| Azpiroz JM, Matxain JM, Infante I, et al. (2013) A DFT/TDDFT study on the optoelectronic properties of the amine-capped magic (CdSe)13 nanocluster. Physical Chemistry Chemical Physics : Pccp. 15: 10996-1005 |
| Geethalakshmi KR, Ruipérez F, Knecht S, et al. (2012) An interpretation of the absorption and emission spectra of the gold dimer using modern theoretical tools. Physical Chemistry Chemical Physics : Pccp. 14: 8732-41 |
| Ruipérez F, Aquilante F, Ugalde JM, et al. (2011) Complete vs Restricted Active Space Perturbation Theory Calculation of the Cr2 Potential Energy Surface. Journal of Chemical Theory and Computation. 7: 1640-6 |
| Ruipérez F, Ugalde JM, Infante I. (2011) Electronic structure and bonding in heteronuclear dimers of V, Cr, Mo, and W: a CASSCF/CASPT2 study. Inorganic Chemistry. 50: 9219-29 |
| Infante I, Kovacs A, La Macchia G, et al. (2010) Ionization energies for the actinide mono- and dioxides series, from Th to Cm: theory versus experiment. The Journal of Physical Chemistry. A. 114: 6007-15 |
| La Macchia G, Infante I, Raab J, et al. (2008) A theoretical study of the ground state and lowest excited states of PuO0/+/+2 and PuO(2)0/+/+2. Physical Chemistry Chemical Physics : Pccp. 10: 7278-83 |
| Groenewold GS, Gianotto AK, McIlwain ME, et al. (2008) Infrared spectroscopy of discrete uranyl anion complexes. The Journal of Physical Chemistry. A. 112: 508-21 |