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Browsing by Author HAJGATO, Balazs

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Showing results 1 to 20 of 29
TitleTypeIssue Date
A benchmark theoretical study of the electron affinities of benzene and linear acenes
JOURNAL OF CHEMICAL PHYSICS, 129(8)
Journal Contribution2008
A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes
JOURNAL OF CHEMICAL PHYSICS, 131(22)
Journal Contribution2009
Aromaticity of giant polycyclic aromatic hydrocarbons with hollow sites: Super ring currents in super-rings.
CHEMISTRY-A EUROPEAN JOURNAL, 12(22). p. 5757-5769
Journal Contribution2006
The band 12 issue of norbornane: A study of higher shake-up states
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 88 (March 2012), p. 102-110
Journal Contribution2012
Benchmark Dyson orbital study of the ionization spectrum and electron momentum distributions of ethanol in conformational equilibrium
JOURNAL OF PHYSICAL CHEMISTRY A, 112(38). p. 9083-9096
Journal Contribution2008
Benchmark theoretical study of the ionization energies, electron affinities and singlet-triplet energy gaps of azulene, phenanthrene, pyrene, chrysene and perylene
CHEMICAL PHYSICS, 406, p. 55-64
Journal Contribution2012
Bonding in negative ions: the role of d orbitals in the heavy analogues of pyridine and furan radical anions
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 13(4). p. 1663-1668
Journal Contribution2011
Cycloaddition reactions of ICNO
CHEMICAL PHYSICS LETTERS, 473(4-6). p. 343-347
Journal Contribution2009
Dimerisation of nitrile oxides: a quantum-chemical study
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 11(26). p. 5263-5272
Journal Contribution2009
Electron momentum spectroscopy of metal carbonyls: a reinvestigation of the role of nuclear dynamics
THEORETICAL CHEMISTRY ACCOUNTS, 131 (7), p. 1244
Journal Contribution2012
Electron Momentum Spectroscopy of Norbornadiene at the Benchmark ADC(3) Level
JOURNAL OF PHYSICAL CHEMISTRY A, 114(34). p. 9374-9387
Journal Contribution2010
Electron Momentum Spectroscopy of pyrimidine at the benchmark ADC(3) level
CHEMICAL PHYSICS LETTERS, 498(1-3). p. 45-51
Journal Contribution2010
Evidences from electron momentum spectroscopy for ultra-fast charge transfers and structural reorganizations in a floppy molecule: Ethanol
Journal of Physics: Conference Series, 194(5)
Journal Contribution2009
Focal Point Analysis of the Singlet-Triplet Energy Gap of Octacene and Larger Acenes
The journal of physical chemistry. A, 115, p. 9282-9293
Journal Contribution2011
Half-metallicity and spin-contamination of the electronic ground state of graphene nanoribbons and related systems: An impossible compromise?
The Journal of chemical physics, 135, p. 104704-104718
Journal Contribution2011
High resolution electron momentum spectroscopy of the valence orbitals of water
CHEMICAL PHYSICS, 343(1). p. 19-30
Journal Contribution2008
Imaging momentum orbital densities of conformationally versatile molecules: A benchmark theoretical study of the molecular and electronic structures of dimethoxymethane
JOURNAL OF PHYSICAL CHEMISTRY A, 111(26). p. 5879-5897
Journal Contribution2007
Investigation of the molecular conformations of ethanol using electron momentum spectroscopy
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 41(17)
Journal Contribution2008
Many-body calculations of molecular electric polarizabilities in asymptotically complete basis sets
MOLECULAR PHYSICS, 109(19), p. 2317-2339
Journal Contribution2011
Photoelectron and electron momentum spectroscopy of 1-butene at benchmark theoretical levels
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS, 44(23)
Journal Contribution2011
Showing results 1 to 20 of 29