| Year |
Citation |
Score |
| 2022 |
van Beek B, Zito J, Visscher L, Infante I. CAT: A Compound Attachment Tool for the Construction of Composite Chemical Compounds. Journal of Chemical Information and Modeling. 62: 5525-5535. PMID 36314636 DOI: 10.1021/acs.jcim.2c00690 |
0.488 |
|
| 2019 |
Zapata F, Ridder L, Hidding J, Jacob CR, Infante I, Visscher L. QMflows: A Tool Kit for Interoperable Parallel Workflows in Quantum Chemistry. Journal of Chemical Information and Modeling. PMID 31260292 DOI: 10.1021/Acs.Jcim.9B00384 |
0.559 |
|
| 2014 |
Azpiroz JM, Ugalde JM, Infante I. 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. PMID 26579893 DOI: 10.1021/ct400513s |
0.345 |
|
| 2013 |
Azpiroz JM, Matxain JM, Infante I, Lopez X, Ugalde JM. A DFT/TDDFT study on the optoelectronic properties of the amine-capped magic (CdSe)13 nanocluster. Physical Chemistry Chemical Physics : Pccp. 15: 10996-1005. PMID 23712668 DOI: 10.1039/c3cp51687c |
0.365 |
|
| 2012 |
Geethalakshmi KR, Ruipérez F, Knecht S, Ugalde JM, Morse MD, Infante I. An interpretation of the absorption and emission spectra of the gold dimer using modern theoretical tools. Physical Chemistry Chemical Physics : Pccp. 14: 8732-41. PMID 22595771 DOI: 10.1039/C2Cp40898H |
0.327 |
|
| 2011 |
Ruipérez F, Aquilante F, Ugalde JM, Infante I. Complete vs Restricted Active Space Perturbation Theory Calculation of the Cr2 Potential Energy Surface. Journal of Chemical Theory and Computation. 7: 1640-6. PMID 26596430 DOI: 10.1021/ct200048z |
0.323 |
|
| 2011 |
Ruipérez F, Ugalde JM, Infante I. Electronic structure and bonding in heteronuclear dimers of V, Cr, Mo, and W: a CASSCF/CASPT2 study. Inorganic Chemistry. 50: 9219-29. PMID 21894920 DOI: 10.1021/ic200061h |
0.308 |
|
| 2010 |
Infante I, Kovacs A, La Macchia G, Shahi AR, Gibson JK, Gagliardi L. 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. PMID 20329784 DOI: 10.1021/Jp1016328 |
0.307 |
|
| 2008 |
La Macchia G, Infante I, Raab J, Gibson JK, Gagliardi L. 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. PMID 19060973 DOI: 10.1039/B810744K |
0.344 |
|
| 2008 |
Groenewold GS, Gianotto AK, McIlwain ME, Stipdonk MJ, Kullman M, Moore DT, Polfer N, Oomens J, Infante I, Visscher L, Siboulet B, Jong WA. Infrared spectroscopy of discrete uranyl anion complexes. The Journal of Physical Chemistry. A. 112: 508-21. PMID 18163602 DOI: 10.1021/Jp077309Q |
0.523 |
|
| 2008 |
Belpassi L, Infante I, Tarantelli F, Visscher L. The chemical bond between Au(I) and the noble gases. Comparative study of NgAuF and NgAu+ (Ng = Ar, Kr, Xe) by density functional and coupled cluster methods. Journal of the American Chemical Society. 130: 1048-60. PMID 18161976 DOI: 10.1021/Ja0772647 |
0.516 |
|
| 2007 |
Infante I, Eliav E, Vilkas MJ, Ishikawa Y, Kaldor U, Visscher L. A Fock space coupled cluster study on the electronic structure of the UO(2), UO(2) (+), U(4+), and U(5+) species. The Journal of Chemical Physics. 127: 124308. PMID 17902904 DOI: 10.1063/1.2770699 |
0.562 |
|
| 2006 |
Infante I, Gomes AS, Visscher L. On the performance of the intermediate Hamiltonian Fock-space coupled-cluster method on linear triatomic molecules: The electronic spectra of NpO2+, NpO2(2+), and PuO2(2+). The Journal of Chemical Physics. 125: 074301. PMID 16942333 DOI: 10.1063/1.2244564 |
0.573 |
|
| 2006 |
Infante I, van Stralen B, Visscher L. A QM/MM study on the aqueous solvation of the tetrahydroxouranylate [UO2(OH)4]2- complex ion. Journal of Computational Chemistry. 27: 1156-62. PMID 16732544 DOI: 10.1002/Jcc.20434 |
0.493 |
|
| 2004 |
Infante I, Visscher L. The importance of spin-orbit coupling and electron correlation in the rationalization of the ground state of the CUO molecule. The Journal of Chemical Physics. 121: 5783-8. PMID 15367003 DOI: 10.1063/1.1784778 |
0.523 |
|
| 2004 |
Infante I, Visscher L. QM/MM study of aqueous solvation of the uranyl fluoride [UO2F4(2-)] complex. Journal of Computational Chemistry. 25: 386-92. PMID 14696073 DOI: 10.1002/Jcc.10383 |
0.546 |
|
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