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The Journal of Organic Chemistry|October 24, 2012
Doped polycyclic aromatic hydrocarbons as building blocks for nanoelectronics: a theoretical studyPavlo O Dral, Milan Kivala, Timothy ClarkChempluschem|January 22, 2020
Stability of Odd- Versus Even-Electron Gas-Phase (Quasi)Molecular Ions Derived from Pyridine-Substituted N-HeterotriangulenesJakob F Hitzenberger, Pavlo O Dral, Ute Meinhardt, et al.Chempluschem|January 22, 2020
Stability of Odd- Versus Even-Electron Gas-Phase (Quasi)Molecular Ions Derived from Pyridine-Substituted N-HeterotriangulenesJakob F Hitzenberger, Pavlo O Dral, Ute Meinhardt, et al.Physical Chemistry Chemical Physics : PCCP|June 23, 2017
On the feasibility of reactions through the fullerene wall: a theoretical study of NHx@C60Pavlo O Dral, Timothy ClarkThe Journal of Physical Chemistry. A|August 19, 2011
Semiempirical UNO-CAS and UNO-CI: method and applications in nanoelectronicsPavlo O Dral, Timothy ClarkChemistry (Weinheim an Der Bergstrasse, Germany)|April 4, 2017
Organic Electron Acceptors Comprising a Dicyanomethylene-Bridged Acridophosphine Scaffold: The Impact of the HeteroatomTobias A Schaub, Steffen M Brülls, Pavlo O Dral, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|January 24, 2020
A Spherically Shielded Triphenylamine and Its Persistent Radical CationTobias A Schaub, Theresa Mekelburg, Pavlo O Dral, et al.Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 2, 2011
Influence of electron doping on the hydrogenation of fullerene C60 : a theoretical investigationPavlo O Dral, Tatyana E Shubina, Andreas Hirsch, et al.Chemical Communications (Cambridge, England)|March 6, 2024
AI in computational chemistry through the lens of a decade-long journeyPavlo O DralThe Journal of Physical Chemistry Letters|March 4, 2020
Quantum Chemistry in the Age of Machine LearningPavlo O DralPageof 43