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Chemistry

D-Index
44
Citations
7090
World Ranking
16858
National Ranking
685

Overview

Alexander A. Voityuk is affiliated with the Institució Catalana de Recerca i Estudis Avançats in Spain. Their research spans several interconnected fields, prominently including chemistry, engineering, and materials science. The focus areas of their work cover organic chemistry, electrical and electronic engineering, materials chemistry, atomic and molecular physics, and physical and theoretical chemistry.

The scientist has contributed substantially to topics such as fullerene chemistry and applications, molecular junctions and nanostructures, synthesis and properties of aromatic compounds, photochemistry and electron transfer studies, organic electronics and photovoltaics, porphyrin and phthalocyanine chemistry, and advanced chemical physics studies.

Frequent co-authors collaborating with Alexander A. Voityuk include:

  • Miquel Solà
  • Anton J. Stasyuk
  • Olga A. Stasyuk
  • Sergei F. Vyboishchikov
  • Pau Besalú-Sala

Key recent papers authored or co-authored by the scientist are:

  • "Initiating Electron Transfer in Doubly Curved Nanographene Upon Supramolecular Complexation of C60", 2021, Angewandte Chemie International Edition
  • "Fast and accurate calculation of hydration energies of molecules and ions", 2020, Physical Chemistry Chemical Physics
  • "Fast non-iterative calculation of solvation energies for water and non-aqueous solvents", 2021, Journal of Computational Chemistry
  • "Evaluation of charge-transfer rates in fullerene-based donor-acceptor dyads with different density functional approximations", 2021, Physical Chemistry Chemical Physics
  • "Photoinduced electron transfer in nanotube⊃C70 inclusion complexes: phenine vs. nanographene nanotubes", 2020, Chemical Communications

Publications by Alexander A. Voityuk frequently appear in the following venues:

  • ECS Meeting Abstracts
  • Chemistry - A European Journal
  • Physical Chemistry Chemical Physics
  • Chemical Communications
  • ChemPhysChem

Best Publications

  • Fragment charge difference method for estimating donor-acceptor electronic coupling: Application to DNA π-stacks

    Alexander A. Voityuk;Notker Rösch

  • Extension of MNDO to d Orbitals: Parameters and Results for the Second-Row Elements and for the Zinc Group

    Walter Thiel;Alexander A. Voityuk

  • Electronic Coupling for Charge Transfer and Transport in DNA

    Alexander A. Voityuk;Notker Rösch;M. Bixon, ,‡ and;Joshua Jortner

  • Electronic coupling between Watson–Crick pairs for hole transfer and transport in desoxyribonucleic acid

    Alexander A. Voityuk;Joshua Jortner;M. Bixon;Notker Rösch

  • Energetics of hole transfer in DNA

    Alexander A. Voityuk;Joshua Jortner;M. Bixon;Notker Rösch

  • Environmental Fluctuations Facilitate Electron‐Hole Transfer from Guanine to Adenine in DNA π Stacks

    Alexander A. Voityuk;Khatcharin Siriwong;Notker Rösch

  • Charge transfer in DNA. Sensitivity of electronic couplings to conformational changes

    Alexander A. Voityuk;Khatcharin Siriwong;Notker Rösch

  • Quantum chemical modeling of structure and absorption spectra of the chromophore in green fluorescent proteins

    Alexander A Voityuk;Maria-Elisabeth Michel-Beyerle;Notker Rösch

  • Structure and rotation barriers for ground and excited states of the isolated chromophore of the green fluorescent protein

    Alexander A. Voityuk;Maria-Elisabeth Michel-Beyerle;Notker Rösch

  • Estimate of the Reorganization Energy for Charge Transfer in DNA

    Khatcharin Siriwong;Alexander A. Voityuk;Marshall D. Newton, ,‡ and;Notker Rösch

  • PROTONATION EFFECTS ON THE CHROMOPHORE OF GREEN FLUORESCENT PROTEIN. QUANTUM CHEMICAL STUDY OF THE ABSORPTION SPECTRUM

    Alexander A. Voityuk;Maria-Elisabeth Michel-Beyerle;Notker Rösch

  • Electronic couplings and on-site energies for hole transfer in DNA: systematic quantum mechanical/molecular dynamic study

    Alexander A. Voityuk

  • Absorption spectra of the GFP chromophore in solution: comparison of theoretical and experimental results

    Alexander A. Voityuk;Andreas D. Kummer;Maria-Elisabeth Michel-Beyerle;Notker Rösch

  • Cyclo[18]carbon: the smallest all-carbon electron acceptor

    Anton J. Stasyuk;Olga A. Stasyuk;Miquel Solà;Alexander A. Voityuk;Alexander A. Voityuk

  • Extension of MNDO to d Orbitals: Parameters and Results for the Halogens

    Walter Thiel;Alexander A. Voityuk

  • CASSCF/CAS-PT2 study of hole transfer in stacked DNA nucleobases.

    Lluis Blancafort;Alexander A. Voityuk

  • Charge transfer in DNA: hole charge is confined to a single base pair due to solvation effects.

    Alexander A. Voityuk

  • Estimation of electronic coupling in π-stacked donor-bridge-acceptor systems : Correction of the two-state model

    Alexander A. Voityuk

  • Extension of the MNDO formalism to d orbitals: Integral approximations and preliminary numerical results

    Walter Thiel;Alexander A. Voityuk

  • Energetics of excess electron transfer in DNA

    Alexander A Voityuk;Maria-Elisabeth Michel-Beyerle;Notker Rösch

Frequent Co-Authors

Miquel Solà
Miquel Solà University of Girona
Notker Rösch
Notker Rösch Technical University of Munich
Maria-Elisabeth Michel-Beyerle
Maria-Elisabeth Michel-Beyerle Technical University of Munich
Nazario Martín
Nazario Martín Complutense University of Madrid
Walter Thiel
Walter Thiel Max Planck Society
Victor Guallar
Victor Guallar Barcelona Supercomputing Center
Dirk M. Guldi
Dirk M. Guldi University of Erlangen-Nuremberg
Nikolaus P. Ernsting
Nikolaus P. Ernsting Humboldt-Universität zu Berlin
Anh Tuân Phan
Anh Tuân Phan Nanyang Technological University
Joshua Jortner
Joshua Jortner Tel Aviv University

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