Преглед Radovi istraživača / Researchers' publications аутора: "Garcia-Fernandez, Pablo"
Приказ резултата 1-13 од 13
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Challenges in assignment of orbital populations in a high spin manganese(III) complex
Fitzpatrick, Anthony J.; Stepanović, Stepan; Mueller-Bunz, Helge; Gruden-Pavlović, Maja; Garcia-Fernandez, Pablo; Morgan, Grace G. (Royal Soc Chemistry, Cambridge, 2016) -
Challenges in assignment of orbital populations in a high spin manganese(III) complex
Fitzpatrick, Anthony J.; Stepanović, Stepan; Mueller-Bunz, Helge; Gruden-Pavlović, Maja; Garcia-Fernandez, Pablo; Morgan, Grace G. (Royal Soc Chemistry, Cambridge, 2016) -
General treatment of the multimode Jahn-Teller effect: study of fullerene cations
Ramanantoanina, Harry; Zlatar, Matija; Garcia-Fernandez, Pablo; Daul, Claude; Gruden-Pavlović, Maja (Royal Soc Chemistry, Cambridge, 2013) -
General treatment of the multimode Jahn-Teller effect: study of fullerene cations
Ramanantoanina, Harry; Zlatar, Matija; Garcia-Fernandez, Pablo; Daul, Claude; Gruden-Pavlović, Maja (Royal Soc Chemistry, Cambridge, 2013) -
Improvement of d–d interactions in density functional tight binding for transition metal ions with a ligand field model: assessment of a DFTB3+ U model on nickel coordination compounds
Stepanović, Stepan; Lai, Rui; Elstner, Marcus; Gruden, Maja; Garcia-Fernandez, Pablo; Cui, Qiang (Royal Society of Chemistry (RSC), 2020) -
Magnetic Anisotropy in "Scorpionate" First-Row Transition-Metal Complexes: A Theoretical Investigation
Perić, Marko; Garcia-Fuente, Amador; Zlatar, Matija; Daul, Claude; Stepanović, Stepan; Garcia-Fernandez, Pablo; Gruden-Pavlović, Maja (Wiley-VCH Verlag Gmbh, Weinheim, 2015) -
Magnetic Anisotropy in "Scorpionate" First-Row Transition-Metal Complexes: A Theoretical Investigation
Perić, Marko; Garcia-Fuente, Amador; Zlatar, Matija; Daul, Claude; Stepanović, Stepan; Garcia-Fernandez, Pablo; Gruden-Pavlović, Maja (Wiley-V C H Verlag Gmbh, Weinheim, 2015) -
Origin of the Zero-Field Splitting in Mononuclear Octahedral Mn-IV Complexes: A Combined Experimental and Theoretical Investigation
Zlatar, Matija; Gruden, Maja; Vassilyeva, Olga Yu; Buvaylo, Elena A.; Ponomarev, A. N.; Zvyagin, S. A.; Wosnitza, J.; Krzystek, J.; Garcia-Fernandez, Pablo; Duboc, Carole (American Chemical Society (ACS), 2016) -
A Practical Computational Approach to Study Molecular Instability Using the Pseudo-Jahn-Teller Effect
Garcia-Fernandez, Pablo; Aramburu, Antonio Jose; Moreno, Miguel; Zlatar, Matija; Gruden-Pavlović, Maja (American Chemical Society (ACS), 2014) -
A simple monomer-based model-Hamiltonian approach to combine excitonic coupling and Jahn-Teller theory
Garcia-Fernandez, Pablo; Anđelković, Ljubica; Zlatar, Matija; Gruden-Pavlović, Maja; Dreuw, Andreas (Amer Inst Physics, Melville, 2013) -
Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(II) complexes with potential molecular magnet behavior
Gruden-Pavlović, Maja; Perić, Marko; Zlatar, Matija; Garcia-Fernandez, Pablo (Royal Soc Chemistry, Cambridge, 2014) -
Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(II) complexes with potential molecular magnet behavior
Gruden-Pavlović, Maja; Perić, Marko; Zlatar, Matija; Garcia-Fernandez, Pablo (Royal Soc Chemistry, Cambridge, 2014) -
Treatment of the Multimode Jahn-Teller Problem in Small Aromatic Radicals
Gruden-Pavlović, Maja; Garcia-Fernandez, Pablo; Anđelković, Ljubica; Daul, Claude; Zlatar, Matija (American Chemical Society (ACS), 2011)