about
Double pancake bonds: pushing the limits of strong π-π stacking interactionsPhotophysics of N,N-dimethyl-3-(1-indolyl)propan-1-ammonium chloride and related derivatives.Is there a lower limit to the CC bonding distances in neutral radical pi-dimers? The case of phenalenyl derivatives.Why is there no in-plane H-atom transfer from aryloxy radicals? A theoretical and experimental investigation.Fluxional sigma-bonds of 2,5,8-tri-tert-butyl-1,3-diazaphenalenyl dimers: stepwise [3,3], [5,5] and [7,7] sigmatropic rearrangements via pi-dimer intermediates.Study of the diradicaloid character in a prototypical pancake-bonded dimer: the stacked tetracyanoethylene (TCNE) anion dimer and the neutral K(2)TCNE(2) complex.Spin crossover of spiro-biphenalenyl neutral radical molecular conductors.Binding interactions in dimers of phenalenyl and closed-shell analogues.Reversible Dimerization and Polymerization of a Janus Diradical To Produce Labile C-C Bonds and Large Chromic Effects.From linear to cyclic oligoparaphenylenes: electronic and molecular changes traced in the vibrational Raman spectra and reformulation of the bond length alternation pattern.Pancake Bond Orders of a Series of π-Stacked Triangulene Radicals.Intramolecular Pancake Bonding in Helical Structures.High-Pressure Chemistry and the Mechanochemical Polymerization of [5]-Cyclo-p-phenylene.Correction to Evidence of σ- and π-Dimerization in a Series of Phenalenyls.Validation of density functionals for pancake-bonded π-dimers; dispersion is not enough.Characterization of large vacancy clusters in diamond from a generational algorithm using tight binding density functional theory.Mechanochemistry in [6]cyclo-para-phenylene. A combined Raman spectroscopy and density functional theory study.Nitrogen Doping Enables Covalent-Like π-π Bonding between Graphenes.Concave or convex π-dimers: the role of the pancake bond in substituted phenalenyl radical dimers.Stepwise cope rearrangement of cyclo-biphenalenyl via an unusual multicenter covalent pi-bonded intermediate.The Raman fingerprint of cyclic conjugation: the case of the stabilization of cations and dications in cycloparaphenylenesProperties of sizeable [n]cycloparaphenylenes as molecular models of single-wall carbon nanotubes elucidated by Raman spectroscopy: structural and electron-transfer responses under mechanical stressFluxional σ-Bonds of the 2,5,8-Trimethylphenalenyl Dimer: Direct Observation of the Sixfold σ-Bond Shift via a π-DimerHetero-π-Dimers of PhenalenylsEvidence of σ- and π-Dimerization in a Series of PhenalenylsHelical molecular redox actuators with pancake bonds?Cyclo-biphenalenyl Biradicaloid Molecular Materials: Conformation, Tautomerization, Magnetism, and Thermochromism†Intermolecular transfer integrals for organic molecular materials: can basis set convergence be achieved?Charge shift bonding concept in radical π-dimersConformations of antipyrinesOn the anisotropy of van der Waals atomic radii of O, S, Se, F, Cl, Br, and IDivacancies in diamond: a stepwise formation mechanismVolume change during thermal [4 + 4] cycloaddition of [2.2] (9,10)anthracenophaneRotational barrier in phenalenyl neutral radical dimer: separating pancake and van der Waals interactionsPancake Bonding: An Unusual Pi-Stacking InteractionSigma- versus Pi-Dimerization Modes of TrianguleneThe generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistryLinear and Radial Conjugation in Extended π-Electron SystemsQuinonoid vs. aromatic structures of heteroconjugated polymers from oligomer calculations
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description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Miklos Kertesz
@ast
Miklos Kertesz
@en
Miklos Kertesz
@es
Miklos Kertesz
@nl
Miklos Kertesz
@sl
type
label
Miklos Kertesz
@ast
Miklos Kertesz
@en
Miklos Kertesz
@es
Miklos Kertesz
@nl
Miklos Kertesz
@sl
prefLabel
Miklos Kertesz
@ast
Miklos Kertesz
@en
Miklos Kertesz
@es
Miklos Kertesz
@nl
Miklos Kertesz
@sl
P1053
E-7122-2010
P106
P31
P3829
P496
0000-0002-7930-3260