Autori: Garcia-Fernandez Pablo
| Naslov | 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 (Article) |
| Autori | Stepanovic Stepan M Lai Rui Elstner Marcus Gruden Maja A Garcia-Fernandez Pablo Cui Qiang |
| Info | PHYSICAL CHEMISTRY CHEMICAL PHYSICS, (2020), vol. 22 br. 46, str. 27084-27095 |
| Projekat | Serbian-German collaboration project (DAAD) [451-03-01038/2015-09/7]; Serbian Ministry of Education, Science and Technological Development [451-03-68/2020-14/200168, 451-03-68/2020-14/200026]; National |
| Ispravka | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science Scopus |
| Naslov | Exploring the applicability of density functional tight binding to transition metal ions. Parameterization for nickel with the spin-polarized DFTB3 model (Article) |
| Autori | Vujovic Milena Huynh Mioy Steiner Sebastian Garcia-Fernandez Pablo Elstner Marcus Cui Qiang Gruden Maja A |
| Info | JOURNAL OF COMPUTATIONAL CHEMISTRY, (2019), vol. 40 br. 2, str. 400-413 |
| Projekat | National Institute of General Medical Sciences [R01-GM106443]; Ramon y Cajal Grant [RyC-2013-12515]; Serbian Ministry of Science [172035]; Serbian-German collaboration project [451-03-01038/2015-09/7]; Spanish Ministry of Economy and Competitiveness [FIS2 |
| Ispravka | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science Scopus |
| Naslov | Challenges in assignment of orbital populations in a high spin manganese(III) complex (Article) |
| Autori | Fitzpatrick AJ Stepanovic Stepan M Mueller-Bunz H Gruden-Pavlovic Maja A Garcia-Fernandez Pablo Morgan GG |
| Info | DALTON TRANSACTIONS, (2016), vol. 45 br. 15, str. 6702-6708 |
| Projekat | Science Foundation Ireland [12/IP/1703]; National University of Ireland; Cultural Service of the French Embassy in Ireland; Irish Higher Education Authority; University College Dublin; Ramon y Cajal fellowship [RYC-2013-12515]; Serbian Ministry of Science |
| Ispravka | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science Scopus |
| Naslov | Origin of the Zero-Field Splitting in Mononuclear Octahedral Mn-IV Complexes: A Combined Experimental and Theoretical Investigation (Article) |
| Autori | Zlatar Matija S Gruden Maja A Vassilyeva Olga Yu Buvaylo Elena A Ponomarev AN Zvyagin SA Wosnitza J Krzystek J Garcia-Fernandez Pablo Duboc Carole |
| Info | INORGANIC CHEMISTRY, (2016), vol. 55 br. 3, str. 1192-1201 |
| Projekat | Deutsche Forschungsgemeinschaft (DFG, Germany); Serbian Ministry of Science [172035]; HLD at HZDR, member of the European Magnetic Field Laboratory (EMFL); HLD; NSF [DMR 1157490]; State of Florida; US Department of Energy; French National Agency for Resea |
| Ispravka | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science |
| Naslov | Magnetic Anisotropy in "Scorpionate" First-Row Transition-Metal Complexes: A Theoretical Investigation (Article) |
| Autori | Peric Marko R Garcia-Fuente Amador Zlatar Matija S Daul Claude Stepanovic Stepan M Garcia-Fernandez Pablo Gruden-Pavlovic Maja A |
| Info | CHEMISTRY-A EUROPEAN JOURNAL, (2015), vol. 21 br. 9, str. 3716-3726 |
| Projekat | Serbian Ministry of Education, Science and Technological Development [172035]; Swiss National Science Foundation; Spanish Ministerio of Economia y Competitividad [FIS2012-37549-C05-4]; Ramon y Cajal programme [RYC-2013-12515]; COST Action [CM1305, CM1006] |
| Ispravka | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science Scopus |
| Naslov | A Practical Computational Approach to Study Molecular Instability Using the Pseudo-Jahn-Teller Effect (Article) |
| Autori | Garcia-Fernandez Pablo Antonio Aramburu Jose Moreno Miguel Zlatar Matija S Gruden-Pavlovic Maja A |
| Info | JOURNAL OF CHEMICAL THEORY AND COMPUTATION, (2014), vol. 10 br. 4, str. 1824-1833 |
| Projekat | Serbian-Spanish collaboration project [PRI-AIBSE-2011-1230, 451-03-02635/2011-14/5]; Spanish Ministerio de Industria e Innovacion [FIS2012-37549-C05-04, FIS2012-30996]; Serbian Ministry of Science [172035] |
| Ispravka | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science Scopus |
| Naslov | Theoretical study of the magnetic anisotropy and magnetic tunnelling in mononuclear Ni(II) complexes with potential molecular magnet behavior (Article) |
| Autori | Gruden-Pavlovic Maja A Peric Marko R Zlatar Matija S Garcia-Fernandez Pablo |
| Info | CHEMICAL SCIENCE, (2014), vol. 5 br. 4, str. 1453-1462 |
| Projekat | Serbian-Spanish collaboration project [PRI-AIBSE-2011-1230, 451-03-02635/2011-14/5]; Spanish Ministerio de Industria e Innovacion [FIS2009-07083]; Serbian Ministry of Science [172035] |
| Ispravka | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science Scopus |
| Naslov | A simple monomer-based model-Hamiltonian approach to combine excitonic coupling and Jahn-Teller theory (Article) |
| Autori | Garcia-Fernandez Pablo Andjelkovic Ljubica D Zlatar Matija S Gruden-Pavlovic Maja A Dreuw Andreas |
| Info | JOURNAL OF CHEMICAL PHYSICS, (2013), vol. 139 br. 17, str. - |
| Projekat | Serbian Ministry of Education and Science [172035]; Spanish Ministerio de Industria e Innovacion [FIS2012-37549-C05-04]; COST-CMTS Action [CM1002] |
| Ispravka | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science |
| Naslov | General treatment of the multimode Jahn-Teller effect: study of fullerene cations (Article) |
| Autori | Ramanantoanina Harry Zlatar Matija S Garcia-Fernandez Pablo Daul Claude Gruden-Pavlovic Maja A |
| Info | PHYSICAL CHEMISTRY CHEMICAL PHYSICS, (2013), vol. 15 br. 4, str. 1252-1259 |
| Projekat | Serbian Ministry of Education and Science [172035]; Swiss National Science Foundation; Spanish Ministerio de Industria e Innovacion [FIS2009-07083]; Serbian-Spanish bilateral project [451-03-02635/2011-14/5, PRI-AIBSE-2011-1230] |
| Ispravka | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science Scopus |
| Naslov | Treatment of the Multimode Jahn-Teller Problem in Small Aromatic Radicals (Article) |
| Autori | Gruden-Pavlovic Maja A Garcia-Fernandez Pablo Andjelkovic Ljubica D Daul Claude Zlatar Matija S |
| Info | JOURNAL OF PHYSICAL CHEMISTRY A, (2011), vol. 115 br. 39, str. 10801-10813 |
| Projekat | Serbian Ministry of Science[172035]; Swiss National Science Foundation |
| Ispravka | ISI/Web of Science Članak Elečas Rang časopisa Citati: ISI/Web of Science Scopus |
