Focal Point Analysis of the Singlet–Triplet Energy Gap of Octacene and Larger Acenes von Hajgató, Balázs, Huzak, Matija, Deleuze, Michael S

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Theoretical Investigation of the Intrinsic Mechanical Properties of Single- and Double-Layer Graphene von Hajgató, Balázs, Güryel, Songül, Dauphin, Yves, Blairon, Jean-Marie, Miltner, Hans E, Van Lier, Gregory, De Proft, Frank, Geerlings, Paul

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Electron Momentum Spectroscopy of pyrimidine at the benchmark ADC(3) level von Shojaei, S.H. Reza, Hajgató, Bálazs, Deleuze, Michael S.

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Probing Nuclear Dynamics in Momentum Space: A New Interpretation of (e, 2e) Electron Impact Ionization Experiments on Ethanol von Hajgató, Balázs, Deleuze, Michael S, Morini, Filippo

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Inducing Aromaticity Patterns and Tuning the Electronic Transport of Zigzag Graphene Nanoribbons via Edge Design von Martín-Martínez, Francisco J, Fias, Stijn, Hajgató, Balázs, Van Lier, Gregory, De Proft, Frank, Geerlings, Paul

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Out-of-plane shear and out-of plane Young’s modulus of double-layer graphene von Hajgató, Balázs, Güryel, Songül, Dauphin, Yves, Blairon, Jean-Marie, Miltner, Hans E., Van Lier, Gregory, De Proft, Frank, Geerlings, Paul

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Benchmark Dyson Orbital Study of the Ionization Spectrum and Electron Momentum Distributions of Ethanol in Conformational Equilibrium von Morini, Filippo, Hajgató, Balázs, Deleuze, Michael S, Ning, Chuan G, Deng, Jing K

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Electron Momentum Spectroscopy of Norbornadiene at the Benchmark ADC(3) Level von Morini, Filippo, Hajgató, Balázs, Deleuze, Michael S

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Effect of structural defects and chemical functionalisation on the intrinsic mechanical properties of graphene von Güryel, Songül, Hajgató, Balázs, Dauphin, Yves, Blairon, Jean-Marie, Edouard Miltner, Hans, De Proft, Frank, Geerlings, Paul, Van Lier, Gregory

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Photoelectron and electron momentum spectroscopy of 1-butene at benchmark theoretical levels von Shojaei, S H Reza, Morini, Filippo, Hajgató, Bálazs, Deleuze, Michael S

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Dimerisation of nitrile oxides: a quantum-chemical study von PASINSZKI, Tibor, HAJGATO, Balazs, HAVASI, Balazs, WESTWOOD, Nicholas P. C

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Synthesis, Spectroscopy and Structure of the Parent Furoxan (HCNO)2 von Pasinszki, Tibor, Havasi, Balázs, Hajgató, Balázs, Westwood, Nicholas P. C

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Quenching of magnetism in hexagonal graphene nanoflakes by non-local electron correlation von Hajgató, Balázs, Deleuze, Michael S.

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Theoretical Study of the Fragmentation Pathways of Norbornane in Its Doubly Ionized Ground State von Knippenberg, Stefan, Hajgató, Balázs, François, Jean-Pierre, Deleuze, Michael S

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Bonding in negative ions: the role of d orbitals in the heavy analogues of pyridine and furan radical anions von HAJGATO, Balázs, DE PROFT, Frank, SZIEBERTH, Dénes, TOZER, David J, DELEUZE, Michael S, GEERLINGS, Paul, NYULASZI, László

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Anionic States of Six-Membered Aromatic Phosphorus Heterocycles As Studied by Electron Transmission Spectroscopy and ab Initio Methods von Modelli, Alberto, Hajgató, Balázs, Nixon, John F, Nyulászi, László

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Electron momentum spectroscopy of metal carbonyls: a reinvestigation of the role of nuclear dynamics von Hajgató, Balázs, Morini, Filippo, Deleuze, Michael S.

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Nitromethane−Methyl Nitrite Rearrangement:  A Persistent Discrepancy between Theory and Experiment von Nguyen, Minh Tho, Le, Hung Thanh, Hajgató, Balázs, Veszprémi, Tamás, Lin, M. C

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Revealing the Origins of Electrophilic Reactivity and Regioselectivity of Linear Acenes Using Interaction Energy Decomposition Potentials von Pinter, Balazs, Skara, Gabriella, Hajgató, Balázs, Geerlings, Paul, De Proft, Frank

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Electron momentum spectroscopy of metal carbonyls: a reinvestigation of the role of nuclear dynamics von Hajgató, Balázs, Morini, Filippo, Deleuze, Michael S.

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