about
Isolation of a chiral anthracene cation radical: X-ray crystallography and computational interrogation of its racemization.Energy Gap between the Poly-p-phenylene Bridge and Donor Groups Controls the Hole Delocalization in Donor-Bridge-Donor Wires.Genetic algorithm optimization of point charges in force field development: challenges and insights.When Substituents Do Not Matter: Frontier Orbitals Explain the Unusually High and Invariant Oxidation Potential in Alkoxy-, Alkyl-, and H-Substituted Iptycenes.Unraveling the Coulombic Forces in Electronically Decoupled Bichromophoric Systems during Two Successive Electron Transfers.Poly-p-hydroquinone Ethers: Isoenergetic Molecular Wires with Length-Invariant Oxidation Potentials and Cation Radical Excitation Energies.Cofacially Arrayed Polyfluorenes: Spontaneous Formation of π-Stacked Assemblies in the Gas Phase.From Intramolecular (Circular) in an Isolated Molecule to Intermolecular Hole Delocalization in a Two-Dimensional Solid-State Assembly: The Case of Pillarene.Strength of π-Stacking, from Neutral to Cation: Precision Measurement of Binding Energies in an Isolated π-Stacked Dimer.From Static to Dynamic: Electron Density of HOMO at Biaryl Linkage Controls the Mechanism of Hole Delocalization.First Experimental Evidence for the Diverse Requirements of Excimer vs Hole Stabilization in π-Stacked Assemblies.Vertical vs. adiabatic ionization energies in solution and gas-phase: probing ionization-induced reorganization in conformationally-mobile bichromophoric actuators using photoelectron spectroscopy, electrochemistry and theory- stacking vs. C-H/ interaction: Excimer formation and charge resonance stabilization in van der Waals clusters of 9,9'-dimethylfluoreneElectrostatic point charge fitting as an inverse problem: Revealing the underlying ill-conditioningTwo's Company, Three's a Crowd: Exciton Localization in Cofacially Arrayed PolyfluorenesThe Role of Torsional Dynamics on Hole and Exciton Stabilization in π-Stacked Assemblies: Design of Rigid Torsionomers of a Cofacial BifluoreneTowards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanismGame of Frontier Orbitals: A View on the Rational Design of Novel Charge-Transfer MaterialsMolecular Actuators in Action: Electron-Transfer-Induced Conformation Transformation in Cofacially Arrayed PolyfluorenesLong-Range N-N Bonding by Rydberg ElectronsAn electron-transfer induced conformational transformation: from non-cofacial "sofa" to cofacial "boat" in cyclotetraveratrylene (CTTV) and formation of charge transfer complexesImproving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and pKa Values of ThiolsTwo Cycling Centers in One Molecule: Communication by Through-Bond Interactions and Entanglement of the Unpaired ElectronsTowards a rational design of laser-coolable molecules: insights from equation-of-motion coupled-cluster calculations
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P50
description
hulumtues
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
Maxim V Ivanov
@nl
Maxim V Ivanov
@sl
Maxim V. Ivanov
@en
Maxim V. Ivanov
@es
type
label
Maxim V Ivanov
@nl
Maxim V Ivanov
@sl
Maxim V. Ivanov
@en
Maxim V. Ivanov
@es
prefLabel
Maxim V Ivanov
@nl
Maxim V Ivanov
@sl
Maxim V. Ivanov
@en
Maxim V. Ivanov
@es
P106
P1153
56533145900
P21
P31
P496
0000-0002-6171-9524