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Kurt V. Mikkelsen

Kurt V. Mikkelsen

D-Index & Metrics

Chemistry

D-Index
71
Citations
16512
World Ranking
5614
National Ranking
45

Overview

Kurt V. Mikkelsen is affiliated with the University of Copenhagen in Denmark. Their research primarily spans the fields of Materials Science and Chemistry, with a focus on several specialized subfields including Materials Chemistry, Atomic and Molecular Physics, and Optics. Additional areas of study include Organic Chemistry, Electrical and Electronic Engineering, and Physical and Theoretical Chemistry.

Their work covers diverse scientific topics such as:

  • Photochromic and Fluorescence Chemistry
  • Advanced Chemical Physics Studies
  • Porphyrin and Phthalocyanine Chemistry
  • Crystallization and Solubility Studies
  • Photochemistry and Electron Transfer Studies
  • X-ray Diffraction in Crystallography
  • Spectroscopy and Quantum Chemical Studies

Mikkelsen has contributed to numerous publications, including but not limited to the following recent papers:

  • "Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems," 2020, The Journal of Chemical Physics
  • "Tuning the dihydroazulene - vinylheptafulvene couple for storage of solar energy," 2020, Russian Chemical Reviews
  • "Quantum computing for chemical and biomolecular product design," 2021, Current Opinion in Chemical Engineering
  • "Synthesis, characterization and computational evaluation of bicyclooctadienes towards molecular solar thermal energy storage," 2021, Chemical Science
  • "A benchmark study of aromaticity indexes for benzene, pyridine and the diazines - I. Ground state aromaticity," 2022, RSC Advances

Their collaborative efforts include frequent co-authors such as:

  • Andreas Erbs Hillers-Bendtsen
  • Mogens Brøndsted Nielsen
  • Viktor Bliksted Roug Pedersen
  • Frederik Ørsted Kjeldal
  • Jeppe Granhøj

Mikkelsen's publications are featured prominently in several scientific venues including:

  • The Cambridge Structural Database
  • The Journal of Physical Chemistry A
  • The Journal of Chemical Physics
  • Physical Chemistry Chemical Physics
  • Chemistry - A European Journal

Best Publications

  • The Dalton quantum chemistry program system

    Kestutis Aidas;Celestino Angeli;Keld L. Bak;Vebjørn Bakken

  • INVESTIGATION OF THE TEMPERATURE DEPENDENCE OF DIELECTRIC RELAXATION IN LIQUID WATER BY THZ REFLECTION SPECTROSCOPY AND MOLECULAR DYNAMICS SIMULATION

    Cecilie Ro;Lars Thrane;Per-Olof Åstrand

  • Dalton, a molecular electronic structure program

    H. Agren;David John. Wilson;O. Vahtras;P. R. Taylor

  • Electron Tunneling in Solid-State Electron-Transfer Reactions

    Kurt V. Mikkelsen;Mark A. Ratner

  • On the accurate calculation of polarizabilities and second hyperpolarizabilities of polyacetylene oligomer chains using the CAM-B3LYP density functional.

    Peter A. Limacher;Kurt V. Mikkelsen;Hans Peter Lüthi

  • Polarizability of molecular clusters as calculated by a dipole interaction model

    Lasse Jensen;Per Olof Åstrand;Per Olof Åstrand;Anders Osted;Jacob Kongsted

  • Dalton, a molecular electronic structure program, Release Dalton2011

    C Angeli;K. L. Bak;V. Bakken;O. Christiansen

  • A multiconfigurational self‐consistent reaction‐field method

    Kurt V. Mikkelsen;Hans Ågren;Hans Jo;rgen Aa. Jensen

  • Two-photon photosensitized production of singlet oxygen in water.

    Peter K. Frederiksen;Sean P. Mcilroy;Christian B. Nielsen;Lars Nikolajsen

  • Assessment of Density Functional Theory in Predicting Structures and Free Energies of Reaction of Atmospheric Prenucleation Clusters

    Jonas Elm;Merete Bilde;Kurt V. Mikkelsen

  • Solvent induced polarizabilities and hyperpolarizabilities of para‐nitroaniline studied by reaction field linear response theory

    Kurt V. Mikkelsen;Yi Luo;Hans Ågren;Poul Jo

  • A multiconfiguration self‐consistent reaction field response method

    Kurt V. Mikkelsen;Poul Jørgensen;Hans Jørgen Aagaard Jensen

  • Assessment of binding energies of atmospherically relevant clusters.

    Jonas Elm;Merete Bilde;Kurt V. Mikkelsen

  • Density functional self-consistent quantum mechanics/molecular mechanics theory for linear and nonlinear molecular properties: Applications to solvated water and formaldehyde

    Christian B. Nielsen;Ove Christiansen;Kurt V. Mikkelsen;Jacob Kongsted

  • Electron-transfer reactions in solution. An ab initio approach

    Kurt V. Mikkelsen;Esper. Dalgaard;Peter. Swanstroem

  • The QM/MM approach for wavefunctions, energies and response functions within self-consistent field and coupled cluster theories

    Jacob Kongsted;Anders Osted;Kurt V. Mikkelsen;Ove Christiansen

  • Two-photon photosensitized production of singlet oxygen: sensitizers with phenylene-ethynylene-based chromophores.

    Sean P. Mcilroy;Emiliano Clo;Lars Nikolajsen;Peter K. Frederiksen

  • Linear response functions for coupled cluster/molecular mechanics including polarization interactions

    Jacob Kongsted;Anders Osted;Kurt V. Mikkelsen;Ove Christiansen

  • Sign change of hyperpolarizabilities of solvated water

    Kurt V. Mikkelsen;Yi Luo;Hans Ågren;Poul Jo

  • Introduction to Molecular Dynamics and Chemical Kinetics

    G. D. Billing;K. V. Mikkelsen;Donald G. Truhlar

Frequent Co-Authors

Jacob Kongsted
Jacob Kongsted University of Southern Denmark
Mogens Brøndsted Nielsen
Mogens Brøndsted Nielsen University of Copenhagen
Ove Christiansen
Ove Christiansen Aarhus University
Kenneth Ruud
Kenneth Ruud University of Tromsø - The Arctic University of Norway
Trygve Helgaker
Trygve Helgaker University of Oslo
Mark A. Ratner
Mark A. Ratner Northwestern University
Hans Ågren
Hans Ågren Uppsala University
Stephan P. A. Sauer
Stephan P. A. Sauer University of Copenhagen
Peter R. Ogilby
Peter R. Ogilby Aarhus University
Merete Bilde
Merete Bilde Aarhus University

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