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Researcher
Balazs HAJGATO
- Keywords:Chemistry (incl. biochemistry)
- Disciplines:Chemical sciences
Affiliations
- Chemistry (Department)
Member
From1 May 2007 → 31 Jan 2013 - Center of Molecular and Materials Modelling (Research group)
Member
From1 May 2007 → 31 Jan 2013 - Faculty of Sciences (Faculty)
Member
From1 May 2007 → 31 Jan 2013 - Chemistry-Biology-Geology (Division)
Member
From1 May 2007 → 30 Sep 2009
Publications
1 - 10 of 26
- Half-metallicity of graphene nanoribbons and related systems: a new quantum mechanical El Dorado for nanotechnologies... or a hype for materials scientists?(2013)
Authors: Michael DELEUZE, Matija HUZAK, Balazs HAJGATO
Pages: 2699 - 2714 - Electron momentum spectroscopy of metal carbonyls: a reinvestigation of the role of nuclear dynamics(2012)
Authors: Balazs HAJGATO, Filippo MORINI, Michael DELEUZE
- Quenching of magnetism in hexagonal graphene nanoflakes by non-local electron correlation(2012)
Authors: Balazs HAJGATO, Michael DELEUZE
Pages: 6 - 10 - The band 12 issue of norbornane: A study of higher shake-up states(2012)
Authors: Stefan KNIPPENBERG, Balazs HAJGATO
Pages: 102 - 110 - Benchmark theoretical study of the ionization energies, electron affinities and singlet-triplet energy gaps of azulene, phenanthrene, pyrene, chrysene and perylene(2012)
Authors: Matija HUZAK, Balazs HAJGATO, Michael DELEUZE
Pages: 55 - 64 - Many-body calculations of molecular electric polarizabilities in asymptotically complete basis sets(2011)
Authors: Ruben Monten, Balazs HAJGATO, Michael DELEUZE
Pages: 2317 - 2339 - Bonding in negative ions: the role of d orbitals in the heavy analogues of pyridine and furan radical anions(2011)
Authors: Balazs HAJGATO, Frank De Proft, Denes Szieberth, David J. Tozer, Michael DELEUZE, Paul Geerlingsa, Laszlo Nyulaszi
Pages: 1663 - 1668 - Photoelectron and electron momentum spectroscopy of 1-butene at benchmark theoretical levels(2011)
Authors: Reza SHOJAEI KOHNEHSHAHRI, Filippo MORINI, Balazs HAJGATO, Michael DELEUZE
- Half-metallicity and spin-contamination of the electronic ground state of graphene nanoribbons and related systems: An impossible compromise?(2011)
Authors: Matija HUZAK, Michael DELEUZE, Balazs HAJGATO
Pages: 104704 - 104718 - Focal Point Analysis of the Singlet-Triplet Energy Gap of Octacene and Larger Acenes(2011)
Authors: Balazs HAJGATO, Matija HUZAK, Michael DELEUZE
Pages: 9282 - 9293