Radovan Bast



  • Karen Oda Hjorth Dundas, Maarten Beerepoot, Magnus Ringholm, Simen Sommerfelt Reine, Radovan Bast, Nanna Holmgaard List et al.:
    Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model
    Journal of Chemical Theory and Computation 2021 ARKIV / DOI
  • Rahul Kumar Jinger, Heike Fliegl, Radovan Bast, Maria Dimitrova, Susi Lehtola, Dage Sundholm :
    Spatial Contributions to Nuclear Magnetic Shieldings
    Journal of Physical Chemistry A 2021 ARKIV / DOI
  • Trond Saue, Radovan Bast, Andre Severo Pereira Gomes, Hans-Jørgen Aa. Jensen, Luuk Visscher, Ignacio Agustín Aucar et al.:
    The DIRAC code for relativistic molecular calculations
    Journal of Chemical Physics 26. May 2020 DOI
  • Ole Jacob Broch, Raymond Nepstad, Ingrid H. Ellingsen, Radovan Bast, Geir Morten Skeie, JoLynn Carroll :
    Simulating crude oil exposure, uptake and effects in North Atlantic Calanus finmarchicus populations
    Marine Environmental Research 08. Oct 2020 ARKIV / DOI
  • Jógvan Magnus Haugaard Olsen, Simen Sommerfelt Reine, Olav Vahtras, Erik Kjellgren, Peter Reinholdt, Karen O.H Dundas et al.:
    Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
    Journal of Chemical Physics 2020 FULLTEKST / ARKIV / DOI
  • JoLynn Carroll, Frode Bendiksen Vikebø, Daniel Howell, Ole Jacob Broch, Raymond Nepstad, Starrlight Augustine et al.:
    Assessing impacts of simulated oil spills on the Northeast Arctic cod fishery
    Marine Pollution Bulletin 2018 ARKIV / DOI
  • Cristina A Barboza, Radovan Bast, Ezequiel Barboza, Desmond MacLeod-Carey, Ramiro Arratia-Perez :
    Magnetically induced current density using London atomic orbitals of dihydroindeno-[1,2-b]-fluorenes
    New Journal of Chemistry 2018 DOI
  • Nidal Saleh, Radovan Bast, Nicolas Vanthuyne, Christian Roussel, Trond Saue, Benoit Darquie et al.:
    An oxorhenium complex bearing a chiral cyclohexane-1-olato-2-thiolato ligand: Synthesis, stereochemistry, and theoretical study of parity violation vibrational frequency shifts
    Chirality 2018 DOI
  • Erik Donovan Hedegård, Radovan Bast, Jacob Kongsted, Jógvan Magnus Haugaard Olsen, Hans Jørgen Aagaard Jensen :
    Relativistic Polarizable Embedding
    Journal of Chemical Theory and Computation 2017 DOI
  • Małgorzata Olejniczak, Radovan Bast, Andre Severo Pereira Gomes :
    On the calculation of second-order magnetic properties using subsystem approaches in a relativistic framework
    Physical Chemistry, Chemical Physics - PCCP 2017 DOI
  • Michal Repisky, Stanislav Komorovsky, Radovan Bast, Kenneth Ruud :
    Relativistic Calculations of Nuclear Magnetic Resonance Parameters
    Royal Society of Chemistry 2016 DOI
  • Roberto Di Remigio, Radovan Bast, Luca Frediani, Trond Saue :
    Four-Component Relativistic Calculations in Solution with the Polarizable Continuum Model of Solvation: Theory, Implementation and Application to the Group 16 Dihydrides H2X (X= O, S, Se, Te, Po)
    Journal of Physical Chemistry A 2015 ARKIV / DOI
  • Magnus Ringholm, Dan Johan Jonsson, Radovan Bast, Bin Gao, Andreas johan Thorvaldsen, Ulf Ekstrøm et al.:
    Analytic cubic and quartic force fields using density-functional theory
    Journal of Chemical Physics 2014 ARKIV / DOI
  • Magnus Ringholm, Radovan Bast, Luca Oggioni, Ulf Egil Ekström, Kenneth Ruud :
    Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradients
    Journal of Chemical Physics 2014 ARKIV / DOI
  • S Pathak, Radovan Bast, Kenneth Ruud :
    Multiconfigurational Self-Consistent Field Calculations of the Magnetically Induced Current Density Using Gauge-Including Atomic Orbitals
    Journal of Chemical Theory and Computation 2013 DOI
  • Alexander Biebricher, Ove Havnes, Radovan Bast :
    On the necessary complexity of modeling of the Polar Mesosphere Summer Echo Overshoot Effect
    Journal of Plasma Physics 2012 DOI
  • Pawel Tecmer, Radovan Bast, Kenneth Ruud, Lucas Visscher :
    Charge-Transfer Excitations in Uranyl Tetrachloride ([UO2Cl4](2-)): How Reliable are Electronic Spectra from Relativistic Time-Dependent Density Functional Theory?
    Journal of Physical Chemistry A 2012 DOI
  • Kenneth Ruud, Radovan Bast, Bin Gao, Andreas johan Thorvaldsen, Ulf Egil Ekström, Lucas Visscher :
    A General Toolbox for the Calculation of Higher-Order Molecular Properties Using SCF Wave Functions at the One-, Two- and Four-Component Levels of Theory
    AIP Conference Proceedings 2012 DOI
  • Malgorzata Olejniczak, Radovan Bast, Trond Saue, Magdalena Pecul :
    A simple scheme for magnetic balance in four-component relativistic Kohn-Sham calculations of nuclear magnetic resonance shielding constants in a Gaussian basis
    Journal of Chemical Physics 2012 DOI
  • Radovan Bast, Kenneth Ruud, Antonio Rizzo, Trygve Helgaker :
    Relativistic four-component calculations of Buckingham birefringence using London atomic orbitals
    Theoretical Chemistry Accounts 2011 ARKIV / DOI
  • Rodrigo Ramírez-Tagle, Leonor Alvarado-Soto, Ramiro Arratia-Perez, Radovan Bast, Luis Alvarez-Thon :
    Probing the aromaticity of the [(HtAc)(3)(mu(2)-H)(6)], [(HtTh)(3)(mu(2)-H)(6)],(+), and [(HtPa)(3)(mu(2)-H)(6)] clusters
    Journal of Chemical Physics 2011 DOI
  • Radovan Bast, Anton Koers, Andre Severo Pereira Gomes, Miroslav Ilias, Lucas Visscher, Peter Schwerdtfeger et al.:
    Analysis of parity violation in chiral molecules
    Physical Chemistry, Chemical Physics - PCCP 2011 DOI
  • R Orlando, Radovan Bast, Kenneth Ruud, Ulf Egil Ekström, M Ferrabone, B Kirtman :
    The First and Second Static Electronic Hyperpolarizabilities of Zigzag Boron Nitride Nanotubes. An ab Initio Approach through the Coupled Perturbed Kohn-Sham Scheme
    Journal of Physical Chemistry A 2011 DOI
  • David Sulzer, Małgorzata Olejniczak, Radovan Bast, Trond Saue :
    4-Component relativistic magnetically induced current density using London atomic orbitals
    Physical Chemistry, Chemical Physics - PCCP 2011 DOI
  • Radovan Bast, Ekstrom Ulf, Bin Gao, Trygve Helgaker, Kenneth Ruud, Andreas johan Thorvaldsen :
    The ab initio calculation of molecular electric, magnetic and geometric properties
    Physical Chemistry, Chemical Physics - PCCP 2011 DOI
  • R Orlando, V Lacivita, Radovan Bast, Kenneth Ruud :
    Calculation of the first static hyperpolarizability tensor of three-dimensional periodic compounds with a local basis set: A comparison of LDA, PBE, PBE0, B3LYP, and HF results
    Journal of Chemical Physics 2010 DOI
  • Ulf Ekstrøm, Lucas Visscher, Radovan Bast, Andreas johan Thorvaldsen, Kenneth Ruud :
    Arbitrary-Order Density Functional Response Theory from Automatic Differentiation
    Journal of Chemical Theory and Computation 2010 DOI
  • Frederic De Montigny, Radovan Bast, Andre Severo Pereira Gomes, Guillaume Pilet, Nicolas Vanthuyne, Christian Roussel et al.:
    Chiral oxorhenium(v) complexes as candidates for the experimental observation of molecular parity violation: a structural, synthetic and theoretical study
    Physical Chemistry, Chemical Physics - PCCP 2010 DOI
  • Benoit Darquie, Clara Stoeffler, Alexander Shelkovnikov, C Daussy, A Amy-Klein, Christian Chardonnet et al.:
    Progress Toward the First Observation of Parity Violation in Chiral Molecules by High-Resolution Laser Spectroscopy
    Chirality 2010 DOI
  • Radovan Bast, Andreas johan Thorvaldsen, Magnus Ringholm, Kenneth Ruud :
    Atomic orbital-based cubic response theory for one-, two-, and four-component relativistic self-consistent field models
    Chemical Physics 2009 DOI
  • Radovan Bast, Trond Saue, Johan Henriksson, Patrick Norman :
    Role of noncollinear magnetization for the first-order electric-dipole hyperpolarizability at the four-component Kohn--Sham density functional theory level
    Journal of Chemical Physics 2009 DOI
  • Radovan Bast, Jonas Juselius, Trond Saue :
    4-Component relativistic calculation of the magnetically induced current density in the group 15 heteroaromatic compounds
    Chemical Physics 2009 DOI
  • Radovan Bast, HJAA Jensen, Trond Saue :
    Relativistic Adiabatic Time-Dependent Density Functional Theory Using Hybrid Functionals and Noncollinear Spin Magnetization
    International Journal of Quantum Chemistry 2009 DOI
  • Anna Endresen, Laura Alexis Janda, Radovan Bast, Valentina Zhukova :
    The database of the Russian Constructicon
    2022
  • Radovan Bast, Anna Endresen, Laura Alexis Janda, Marianne Cecilie Lund, Olga Lyashevskaya, Daria Mordashova et al.:
    The Russian Constructicon
    2021 FULLTEKST
  • Anna Endresen, Radovan Bast, Laura Alexis Janda, Valentina Alexandrovna Zhukova, Daria Mordashova :
    International Launch of the Russian Constructicon
    2021 DATA / FULLTEKST
  • Laura Alexis Janda, Anna Endresen, Radovan Bast :
    Lansering av Det russiske konstruktikonet
    2021 DATA
  • Laura Alexis Janda, Radovan Bast, Francis Morton Tyers :
    Rik morfologi og kognitive realiteter
    2021
  • Laura Alexis Janda, Radovan Bast, Francis Morton Tyers, Svetlana Sokolova, Mikhail Kopotev, Ekaterina Rakhilina et al.:
    SMARTool: Strategic Mastery of Russian Tool
  • Laura Alexis Janda, Radovan Bast :
    Nå blir det mye lettere å lære et nytt språk
    14. Feb 2020 OMTALE / FULLTEKST
  • Laura Alexis Janda, Radovan Bast :
    SMARTool Open Science Talk Podcast
    13. Mar 2020 FULLTEKST
  • Kenneth Ruud, Magnus Ringholm, Radovan Bast, Daniel Henrik Friese, Bin Gao, Dan Johan Jonsson :
    OpenRSP Version v.1.0.0
    2020 DATA
  • Laura Alexis Janda, Radovan Bast :
    Tromsø-forskere lanserte nytt gratis verktøy for å lære språk
    13. Feb 2020 FULLTEKST
  • Laura Alexis Janda, Radovan Bast :
    Nå blir det lettere å lære et nytt språk
    14. Feb 2020 FULLTEKST
  • Radovan Bast, Roberto Di Remigio :
    CMake Cookbook
    2018
  • Kenneth Ruud, Magnus Ringholm, Radovan Bast, Daniel Henrik Friese, Bin Gao, Dan Johan Jonsson et al.:
    OpenRSP Version v.1.0.0-alpha
    2018 DATA
  • Magnus Ringholm, Radovan Bast, Daniel Henrik Friese, Bin Gao, Dan Johan Jonsson, Kenneth Ruud et al.:
    Analytic high-order properties with OpenRSP
    2016
  • Magnus Ringholm, Radovan Bast, Bin Gao, Dan Johan Jonsson, Andreas johan Thorvaldsen, Kenneth Ruud :
    The recursive open-ended response code OpenRSP
    2014
  • Magnus Ringholm, Radovan Bast, Bin Gao, Dan Johan Jonsson, Andreas johan Thorvaldsen, Kenneth Ruud :
    A general, recursive open-ended response code: High-order SCF level properties
    2013
  • Adam Chamberlin, Radovan Bast, Kenneth Ruud :
    Identifying relativistic effects on (hyper)polarizabilities
    Abstract of Papers of the American Chemical Society 2012

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