Zuniga-Gutierrez B - Search Results

1

Magnetizability tensors from auxiliary density functional theory.

Zuniga-Gutierrez B, Geudtner G, Köster AM. Zuniga-Gutierrez B, et al. J Chem Phys. 2012 Sep 7;137(9):094113. doi: 10.1063/1.4749243. J Chem Phys. 2012. PMID: 22957561

2

Density functional theory optimized basis sets for gradient corrected functionals: 3d transition metal systems.

Calaminici P, Janetzko F, Köster AM, Mejia-Olvera R, Zuniga-Gutierrez B. Calaminici P, et al. J Chem Phys. 2007 Jan 28;126(4):044108. doi: 10.1063/1.2431643. J Chem Phys. 2007. PMID: 17286463

3

A MinMax self-consistent-field approach for auxiliary density functional theory.

Köster AM, Del Campo JM, Janetzko F, Zuniga-Gutierrez B. Köster AM, et al. J Chem Phys. 2009 Mar 21;130(11):114106. doi: 10.1063/1.3080618. J Chem Phys. 2009. PMID: 19317530

4

NMR shielding tensors from auxiliary density functional theory.

Zuniga-Gutierrez B, Geudtner G, Köster AM. Zuniga-Gutierrez B, et al. J Chem Phys. 2011 Mar 28;134(12):124108. doi: 10.1063/1.3567493. J Chem Phys. 2011. PMID: 21456646

5

Efficient calculation of the rotational g tensor from auxiliary density functional theory.

Zuniga-Gutierrez B, Camacho-Gonzalez M, Simon-Bastida P, Bendana-Castillo A, Calaminici P, Köster AM. Zuniga-Gutierrez B, et al. J Phys Chem A. 2015 Mar 5;119(9):1469-77. doi: 10.1021/jp505169k. Epub 2014 Jul 7. J Phys Chem A. 2015. PMID: 24968112

6

Efficient calculation of nuclear spin-rotation constants from auxiliary density functional theory.

Zuniga-Gutierrez B, Camacho-Gonzalez M, Bendana-Castillo A, Simon-Bastida P, Calaminici P, Köster AM. Zuniga-Gutierrez B, et al. J Chem Phys. 2015 Sep 14;143(10):104103. doi: 10.1063/1.4929999. J Chem Phys. 2015. PMID: 26374014

7

¹H NMR global diatropicity in copper hydride complexes.

López-Estrada O, Torres-Moreno JL, Zuniga-Gutierrez B, Calaminici P, Malola S, Köster AM, Häkkinen H. López-Estrada O, et al. Among authors: zuniga gutierrez b. Nanoscale. 2022 Sep 15;14(35):12668-12676. doi: 10.1039/d2nr02415b. Nanoscale. 2022. PMID: 35947047

8

Calculation of the EPR g-tensor from auxiliary density functional theory.

Zuniga-Gutierrez B, Medel-Juarez V, Varona A, González Ramírez HN, Flores-Moreno R. Zuniga-Gutierrez B, et al. J Chem Phys. 2020 Jan 7;152(1):014105. doi: 10.1063/1.5130174. J Chem Phys. 2020. PMID: 31914741

9

Cubic aromaticity in ligand-stabilized doped Au superatoms.

López-Estrada O, Selenius E, Zuniga-Gutierrez B, Malola S, Häkkinen H. López-Estrada O, et al. Among authors: zuniga gutierrez b. J Chem Phys. 2021 May 28;154(20):204303. doi: 10.1063/5.0050127. J Chem Phys. 2021. PMID: 34241155

10

Analysis of the electronic delocalization in some isoelectronic analogues of B₁₂ doped with beryllium and/or carbon.

Islas R, Inostroza D, Arias-Olivares D, Zúñiga-Gutiérrez B, Poater J, Solà M. Islas R, et al. Among authors: zuniga gutierrez b. Phys Chem Chem Phys. 2020 Jun 4;22(21):12245-12259. doi: 10.1039/d0cp01844a. Phys Chem Chem Phys. 2020. PMID: 32432256

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