Radovan Bast
Stillingsbeskrivelse
- Rådgivning innen digitale forskningstjenester
Karen Oda Hjorth Dundas,
Maarten Beerepoot,
Magnus Ringholm,
Simen Sommerfelt Reine,
Radovan Bast,
Nanna Holmgaard List
m.fl.:
Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model
Rahul Kumar Jinger,
Heike Fliegl,
Radovan Bast,
Maria Dimitrova,
Susi Lehtola,
Dage Sundholm
:
Spatial Contributions to Nuclear Magnetic Shieldings
Jógvan Magnus Haugaard Olsen,
Simen Sommerfelt Reine,
Olav Vahtras,
Erik Kjellgren,
Peter Reinholdt,
Karen O.H Dundas
m.fl.:
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
Trond Saue,
Radovan Bast,
Andre Severo Pereira Gomes,
Hans-Jørgen Aa. Jensen,
Luuk Visscher,
Ignacio Agustín Aucar
m.fl.:
The DIRAC code for relativistic molecular calculations
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
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
m.fl.:
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
JoLynn Carroll,
Frode Bendiksen Vikebø,
Daniel Howell,
Ole Jacob Broch,
Raymond Nepstad,
Starrlight Augustine
m.fl.:
Assessing impacts of simulated oil spills on the Northeast Arctic cod fishery
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 (RSC) 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)
Magnus Ringholm,
Radovan Bast,
Luca Oggioni,
Ulf Egil Ekström,
Kenneth Ruud
:
Analytic calculations of hyper-Raman spectra from density functional theory hyperpolarizability gradients
Magnus Ringholm,
Dan Johan Jonsson,
Radovan Bast,
Bin Gao,
Andreas johan Thorvaldsen,
Ulf Ekstrøm
m.fl.:
Analytic cubic and quartic force fields using density-functional theory
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
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
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
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
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
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
Radovan Bast,
Anton Koers,
Andre Severo Pereira Gomes,
Miroslav Ilias,
Lucas Visscher,
Peter Schwerdtfeger
m.fl.:
Analysis of parity violation in chiral molecules
Physical Chemistry, Chemical Physics - PCCP 2011 DOI
Radovan Bast,
Kenneth Ruud,
Antonio Rizzo,
Trygve Helgaker
:
Relativistic four-component calculations of Buckingham birefringence using London atomic orbitals
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
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
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
Benoit Darquie,
Clara Stoeffler,
Alexander Shelkovnikov,
C Daussy,
A Amy-Klein,
Christian Chardonnet
m.fl.:
Progress Toward the First Observation of Parity Violation in Chiral Molecules by High-Resolution Laser Spectroscopy
Chirality 2010 DOI
Frederic De Montigny,
Radovan Bast,
Andre Severo Pereira Gomes,
Guillaume Pilet,
Nicolas Vanthuyne,
Christian Roussel
m.fl.:
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
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
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
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
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,
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,
Roberto Di Remigio
:
CMake Cookbook
2018
Radovan Bast,
Kathleen Alexandra Smart
:
Good practices for sharing data and software in a FAIR way
2023
Anna Endresen,
Laura Alexis Janda,
Radovan Bast,
Valentina Zhukova
:
The database of the Russian Constructicon
2022
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
m.fl.:
SMARTool: Strategic Mastery of Russian Tool
Anna Endresen,
Radovan Bast,
Laura Alexis Janda,
Valentina Alexandrovna Zhukova,
Daria Mordashova
:
International Launch of the Russian Constructicon
Laura Alexis Janda,
Anna Endresen,
Radovan Bast
:
Lansering av Det russiske konstruktikonet
2021 DATA
Radovan Bast,
Anna Endresen,
Laura Alexis Janda,
Marianne Cecilie Lund,
Olga Lyashevskaya,
Daria Mordashova
m.fl.:
The Russian Constructicon
2021 FULLTEKST
Laura Alexis Janda,
Radovan Bast
:
SMARTool Open Science Talk Podcast
13. mars 2020 FULLTEKST
Laura Alexis Janda,
Radovan Bast
:
Nå blir det lettere å lære et nytt språk
14. februar 2020 FULLTEKST
Laura Alexis Janda,
Radovan Bast
:
Tromsø-forskere lanserte nytt gratis verktøy for å lære språk
13. februar 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
:
Nå blir det mye lettere å lære et nytt språk
Kenneth Ruud,
Magnus Ringholm,
Radovan Bast,
Daniel Henrik Friese,
Bin Gao,
Dan Johan Jonsson
m.fl.:
OpenRSP Version v.1.0.0-alpha
2018 DATA
Magnus Ringholm,
Radovan Bast,
Daniel Henrik Friese,
Bin Gao,
Dan Johan Jonsson,
Kenneth Ruud
m.fl.:
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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