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Results 1-20 of 30 (Search time: 0.02 seconds).

Issue DateTitleContributor(s)TypeCat.
12013Half-metallicity of graphene nanoribbons and related systems: a new quantum mechanical El Dorado for nanotechnologies... or a hype for materials scientists?DELEUZE, Michael; HUZAK, Matija; HAJGATO, BalazsJournal ContributionA1
22012The band 12 issue of norbornane: A study of higher shake-up statesKNIPPENBERG, Stefan; HAJGATO, BalazsJournal ContributionA1
32012Benchmark theoretical study of the ionization energies, electron affinities and singlet-triplet energy gaps of azulene, phenanthrene, pyrene, chrysene and peryleneHUZAK, Matija; HAJGATO, Balazs; DELEUZE, MichaelJournal ContributionA1
42012Quenching of magnetism in hexagonal graphene nanoflakes by non-local electron correlationHAJGATO, Balazs; DELEUZE, MichaelJournal ContributionA1
52012Electron momentum spectroscopy of metal carbonyls: a reinvestigation of the role of nuclear dynamicsHAJGATO, Balazs; MORINI, Filippo; DELEUZE, MichaelJournal ContributionA1
62011Bonding in negative ions: the role of d orbitals in the heavy analogues of pyridine and furan radical anionsHAJGATO, Balazs; De Proft, Frank; Szieberth, Denes; Tozer, David J.; DELEUZE, Michael; Geerlingsa, Paul; Nyulaszi, LaszloJournal ContributionA1
72011Many-body calculations of molecular electric polarizabilities in asymptotically complete basis setsMonten, Ruben; HAJGATO, Balazs; DELEUZE, MichaelJournal ContributionA1
82011Half-metallicity and spin-contamination of the electronic ground state of graphene nanoribbons and related systems: An impossible compromise?HUZAK, Matija; DELEUZE, Michael; HAJGATO, BalazsJournal ContributionA1
92011Focal Point Analysis of the Singlet-Triplet Energy Gap of Octacene and Larger AcenesHAJGATO, Balazs; HUZAK, Matija; DELEUZE, MichaelJournal ContributionA1
102011Photoelectron and electron momentum spectroscopy of 1-butene at benchmark theoretical levelsSHOJAEI KOHNEHSHAHRI, Reza; MORINI, Filippo; HAJGATO, Balazs; DELEUZE, MichaelJournal ContributionA1
112010Structure, Stability, and Generation of CH3CNSKrebsz, Melinda; HAJGATO, Balazs; Bazso, Gabor; Tarczay, Gyoergy; Pasinszki, TiborJournal ContributionA1
122010Electron Momentum Spectroscopy of pyrimidine at the benchmark ADC(3) levelSHOJAEI KOHNEHSHAHRI, Reza; HAJGATO, Balazs; DELEUZE, MichaelJournal ContributionA1
132010Probing electron correlation and nuclear dynamics in Momentum SpaceDELEUZE, Michael; HAJGATO, Balazs; MORINI, Filippo; KNIPPENBERG, StefanJournal ContributionA1
142010Quantum Chemical Study of Conformational Fingerprints in the Photoelectron Spectra and (e, 2e) Electron Momentum Distributions of n-HexaneMORINI, Filippo; KNIPPENBERG, Stefan; DELEUZE, Michael; HAJGATO, BalazsJournal ContributionA1
152010Electron Momentum Spectroscopy of Norbornadiene at the Benchmark ADC(3) LevelMORINI, Filippo; HAJGATO, Balazs; DELEUZE, MichaelJournal ContributionA1
162009Synthesis, Spectroscopy and Structure of the Parent Furoxan (HCNO)(2)Pasinszki, Tibor; Havasi, Balazs; HAJGATO, Balazs; Westwood, Nicholas P. C.Journal ContributionA1
172009Dimerisation of nitrile oxides: a quantum-chemical studyPasinszki, Tibor; HAJGATO, Balazs; Havasi, Balazs; Westwood, Nicholas P. C.Journal ContributionA1
182009Cycloaddition reactions of ICNOPasinszki, Tibor; Krebsz, Melinda; HAJGATO, BalazsJournal ContributionA1
192009A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenesHAJGATO, Balazs; Szieberth, D.; Geerlings, P.; De Proft, F.; DELEUZE, MichaelJournal ContributionA1
202009Evidences from electron momentum spectroscopy for ultra-fast charge transfers and structural reorganizations in a floppy molecule: EthanolDELEUZE, Michael; HAJGATO, Balazs; MORINI, FilippoJournal ContributionA2