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List of works by Maxim V. Ivanov

- stacking vs. C-H/ interaction: Excimer formation and charge resonance stabilization in van der Waals clusters of 9,9'-dimethylfluorene

article

An electron-transfer induced conformational transformation: from non-cofacial "sofa" to cofacial "boat" in cyclotetraveratrylene (CTTV) and formation of charge transfer complexes

scientific article published on 01 August 2018

Cofacially Arrayed Polyfluorenes: Spontaneous Formation of π-Stacked Assemblies in the Gas Phase

scientific article

Correction to "Toward Ultracold Organic Chemistry: Prospects of Laser Cooling Large Organic Molecules"

scientific article published on 16 October 2020

Electrostatic point charge fitting as an inverse problem: Revealing the underlying ill-conditioning ⬇️

scientific article published on 01 October 2015

Energy Gap between the Poly-p-phenylene Bridge and Donor Groups Controls the Hole Delocalization in Donor-Bridge-Donor Wires

scientific article published on 7 December 2016

First Experimental Evidence for the Diverse Requirements of Excimer vs Hole Stabilization in π-Stacked Assemblies.

scientific article

From Intramolecular (Circular) in an Isolated Molecule to Intermolecular Hole Delocalization in a Two-Dimensional Solid-State Assembly: The Case of Pillarene

scientific article

From Static to Dynamic: Electron Density of HOMO at Biaryl Linkage Controls the Mechanism of Hole Delocalization.

scientific article published on 29 March 2018

Game of Frontier Orbitals: A View on the Rational Design of Novel Charge-Transfer Materials

scientific article published on 05 July 2018

Genetic algorithm optimization of point charges in force field development: challenges and insights.

scientific article published on 16 February 2015

Improving Performance of the SMD Solvation Model: Bondi Radii Improve Predicted Aqueous Solvation Free Energies of Ions and pKa Values of Thiols

scientific article published on 02 August 2019

In search of molecular ions for optical cycling: a difficult road

scientific article published on 23 July 2020

Isolation of a chiral anthracene cation radical: X-ray crystallography and computational interrogation of its racemization

scientific article published on 16 February 2017

Long-Range N-N Bonding by Rydberg Electrons

scientific article published on 06 March 2020

Molecular Actuators in Action: Electron-Transfer-Induced Conformation Transformation in Cofacially Arrayed Polyfluorenes

scientific article published on 16 July 2018

Poly-p-hydroquinone Ethers: Isoenergetic Molecular Wires with Length-Invariant Oxidation Potentials and Cation Radical Excitation Energies.

scientific article

Strength of π-Stacking, from Neutral to Cation: Precision Measurement of Binding Energies in an Isolated π-Stacked Dimer

scientific article published on 9 April 2018

The Role of Torsional Dynamics on Hole and Exciton Stabilization in π-Stacked Assemblies: Design of Rigid Torsionomers of a Cofacial Bifluorene

scientific article published on 04 June 2018

Toward Ultracold Organic Chemistry: Prospects of Laser Cooling Large Organic Molecules

scientific article published on 06 August 2020

Towards a rational design of laser-coolable molecules: insights from equation-of-motion coupled-cluster calculations

scientific article published on 28 August 2019

Towards the rational design of novel charge-transfer materials: biaryls with a dihedral angle-independent hole delocalization mechanism

scientific article published on 01 June 2018

Two Cycling Centers in One Molecule: Communication by Through-Bond Interactions and Entanglement of the Unpaired Electrons

scientific article published on 04 February 2020

Two's Company, Three's a Crowd: Exciton Localization in Cofacially Arrayed Polyfluorenes

scientific article published on 18 July 2016

Unraveling the Coulombic Forces in Electronically Decoupled Bichromophoric Systems during Two Successive Electron Transfers.

scientific article published on 17 May 2017

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

scientific article published on 01 October 2018

When Substituents Do Not Matter: Frontier Orbitals Explain the Unusually High and Invariant Oxidation Potential in Alkoxy-, Alkyl-, and H-Substituted Iptycenes

scientific article published on 21 August 2017

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