Publications

This is an overview of the scientific articles and books published by the Hylleraas-researchers.

 

 

Publications

  • Marc Obst; Ashot Gevorgyan; Annette Bayer & Kathrin Helen Hopmann (2020). Mechanistic Insights into Copper-Catalyzed Carboxylations. Organometallics.  ISSN 0276-7333.  39, s 1545- 1552
  • Peter Reinholdt; Erik Rosendahl Kjellgren; Casper Steinmann & Jógvan Magnus Haugaard Olsen (2020). Cost-Effective Potential for Accurate Polarizable Embedding Calculations in Protein Environments. Journal of Chemical Theory and Computation.  ISSN 1549-9618.
  • Lluís Artús Suàrez; Upul Jayarathne; David Balcells; Wesley H. Bernskoetter; Nilay Hazari; Martin Jaraiz & Ainara Nova (2020). Rational selection of co-catalysts for the deaminative hydrogenation of amides. Chemical Science.  ISSN 2041-6520.  11, s 2225- 2230
  • Håkon Emil Kristiansen; Øyvind Sigmundson Schøyen; Simen Kvaal & Thomas Bondo Pedersen (2020). Numerical stability of time-dependent coupled-cluster methods for many-electron dynamics in intense laser pulses. Journal of Chemical Physics.  ISSN 0021-9606.  152
  • Audun Skau Hansen; Gustav Baardsen; Elisa Rebolini; Lorenzo Maschio & Thomas Bondo Pedersen (2020). Representation of the virtual space in extended systems – a correlation energy convergence study. Molecular Physics.  ISSN 0026-8976.
  • Diego García López; Liliana Pavlovic & Kathrin Helen Hopmann (2020). To Bind or Not to Bind: Mechanistic Insights into C–CO2 Bond Formation with Late Transition Metals. Organometallics.  ISSN 0276-7333.
  • Michal Repisky; Stanislav Komorovsky; Marius Kadek; Lukas Konecny; Ulf Ekström; Elena Malkin; Martin Kaupp; Kenneth Ruud; Olga L. Malkina & Vladimir G. Malkin (2020). ReSpect: Relativistic spectroscopy DFT program package. Journal of Chemical Physics.  ISSN 0021-9606.  152
  • Vladimir Pomogaev; Sandro Chiodo; Kenneth Ruud; Rimma Kuznetsova & Pavel Avramov (2020). Computational investigation on the photophysical properties of halogenated tetraphenyl BODIPY. Journal of Physical Chemistry C.  ISSN 1932-7447.  124, s 1100- 1109
  • Sigbjørn Løland Bore; Hima Bindu Kolli; Antonio De Nicola; Maksym Byshkin; Toshihiro Kawakatsu; Giuseppe Milano & Michele Cascella (2020). Hybrid Particle-Field Molecular Dynamics Under Constant Pressure. Journal of Chemical Physics.  ISSN 0021-9606.  152
  • Jógvan Magnus Haugaard Olsen; Simen Sommerfelt Reine; Olav Vahtras; Erik Kjellgren; Peter Reinholdt; Karen O.H Dundas; Xin Li; Janusz Cukras; Magnus Ringholm; Erik Donovan Hedegård; Roberto Di Remigio; Nanna H. List; Rasmus Faber; Bruno Nunes Cabral Tenorio; Radovan Bast; Thomas Bondo Pedersen; Zilvinas Rinkevicius; Stephan P. A. Sauer; Kurt V. Mikkelsen; Jacob Kongsted; Sonia Coriani; Kenneth Ruud; Trygve Helgaker; Hans Jørgen Aa. Jensen & Patrick Norman (2020). Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems. Journal of Chemical Physics.  ISSN 0021-9606.  152

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  • Heike Fliegl; Rashid R. Valiev; Fabio Pichierri & Dage Sundholm (2018). Theoretical studies as a tool for understanding the aromatic character of porphyrinoid compounds. Royal Society of Chemistry.  ISBN 978-1-78801-004-7.  42 s.
  • Radovan Bast & Roberto Di Remigio (2018). CMake Cookbook. Packt Publishing.  ISBN 9781788470711.  506 s.
  • Patrick Norman; Kenneth Ruud & Trond Saue (2018). Principles and Practices of Molecular Properties: Theory, Modeling, and Simulations. John Wiley & Sons.  ISBN 978-0-470-72562-7.  480 s.

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  • Thomas Bondo Pedersen (2020). Laser-Driven Many-Electron Dynamics with Coupled-Cluster Theory.
  • Marius Kadek; Marc Joosten; Michal Repisky & Kenneth Ruud (2020). Four-component Dirac-Kohn-Sham theory for relativistic band structures of periodic systems based on Gaussian-type orbitals.
  • Kenneth Ruud (2020). From real-time method to (quasi)-energy derivatives: Theory and examples of molecular property calculations.
  • Geir Villy Isaksen (2019). Point charges..
  • Roberto Di Remigio (2019). Reusable Components for Quantum Chemistry Software.
  • Lluís Artús Suàrez (2019). Microkinetic modelling of CO2 reduction.
  • Lluís Artús Suàrez (2019). Workshop for COPASI microkinetic modelling.
  • Trygve Helgaker (2019). Centre for Data Science and Computational Science.
  • Trygve Helgaker (2019). Hylleraas Centre for Quantum Molecular Sciences: Applying for and Setting up a Centre of Excellence.
  • Trygve Helgaker (2019). Hylleraas Centre for Quantum Molecular Sciences.
  • Ainara Nova (2019). Can we transform carbon dioxide into something useful?.
  • Kenneth Ruud (2019). Relativt god kjemi.
  • Trygve Helgaker (2019). Kvantemekanikk og kjemi.
  • Trygve Helgaker (2019). Kvantemekanikk og kjemi.
  • Trygve Helgaker (2019). Kvantemekanikk og kjemi.
  • Trygve Helgaker (2019). Utenomjordisk kjemi.
  • Trygve Helgaker (2019). Egil A. Hylleraas – en norsk pioner innen kvantemekanikk.
  • Trygve Helgaker (2019). Utenomjordisk kjemi.
  • Trygve Helgaker (2019). Kvantekjemi — på liv og død.
  • Odile Eisenstein (2019). Art and Chemistry, Chemistry and Art.
  • Marius Kadek; Michal Repisky & Kenneth Ruud (2019). All-electron relativistic four-component Dirac-Kohn-Sham theory for solids using Gaussian-type functions.
  • Lluís Artús Suàrez; David Balcells & Ainara Nova (2019). Rational Cocatalyst Design for Amide Hydrogenolysis Based on DFT Calculations.
  • Lukas Konecny; Marius Kadek; Mehboob Alam; Kenneth Ruud & Michal Repisky (2019). Calculation of Molecular Properties Using Relativistic Real-Time TDDFT.
  • Karen Oda Hjorth Dundas (2019). Computational protocol for calculation of IR and Raman spectra for solvated systems.
  • Julie Denise Josette Héron & David Balcells (2019). Catalyst Activation Mechanisms in the Cu2AAC reaction.
  • Karolina Solheimslid Eikås; Kenneth Ruud; Maarten Beerepoot & Bjørn Olav Brandsdal (2019). Towards a computational protocol for VCD spectra of cyclic peptides.
  • Karolina Solheimslid Eikås; Kenneth Ruud; Maarten Beerepoot & Bjørn Olav Brandsdal (2019). Towards a computational protocol for VCD spectra of cyclic peptides.
  • Karolina Solheimslid Eikås; Kenneth Ruud; Maarten Beerepoot & Bjørn Olav Brandsdal (2019). Towards a computational protocol for VCD spectra of cyclic peptides.
  • Karolina Solheimslid Eikås; Kenneth Ruud; Maarten Beerepoot & Bjørn Olav Brandsdal (2019). Towards a computational protocol for VCD spectra of cyclic peptides.
  • Marius Kadek; Michal Repisky & Kenneth Ruud (2019). Full-potential relativistic four-component Dirac-Kohn-Sham method for periodic systems using Gaussian-type functions.
  • Marius Kadek; Michal Repisky & Kenneth Ruud (2019). All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions.
  • Kenneth Ruud (2019). Towards the calculation of multidimensional vibrational spectra.
  • Geir Villy Isaksen (2019). Computational Understanding of Biocatalytic Evolution to Extreme Environments.
  • Geir Villy Isaksen (2019). Entropy Calculations in the PchB-catalyzed chorismate mutase reaction..
  • Erik Tellgren; Trygve Helgaker & Sangita Sen (2019). Unifying kinetic energy density and current density in density-functional theory.
  • Erik Tellgren; Trygve Helgaker & Sangita Sen (2019). Unifying kinetic energy density and current density in density-functional theory.
  • Erik Tellgren; Trygve Helgaker & Sangita Sen (2019). Unifying kinetic energy density and current density in density-functional theory.
  • Thomas Bondo Pedersen (2019). Electron Dynamics in Extreme Laser Pulses: A Challenge to Coupled-Cluster Theory.
  • Thomas Bondo Pedersen (2019). Can Coupled-Cluster Theory Describe Ultrashort, High-Intensity Laser-Driven Electron Dynamics?.
  • Kathrin Helen Hopmann (2019). Is your mechanism corect? Insights into Organometallic Hydrogenation and Carboxylation Reactions.
  • Kathrin Helen Hopmann (2019). Is your mechanism correct? Insights into Hydrogenation and Carboxylation Reactions.
  • Ainara Nova (2019). Rational Design of Homogeneous and Heterogeneous Catalysts for CO2 Hydrogenation to Methanol.
  • Ainara Nova (2019). Mechanistic Insight into the Hydrogenation of Amides by Noyori-type Bifunctional Catalysts.
  • Ainara Nova (2019). Computational design of multivariate MOFs for CO2 conversion to methanol.
  • Roberto Di Remigio (2019). Diagrammatic Coupled Cluster Monte Carlo.
  • Geir Villy Isaksen (2019). The entropy challenge in enzyme-catalyzed reactions – are QM methods approaching classical brute force calculations?.
  • Andre Laestadius (2019). Monotonicity in Coupled-Cluster Methods.
  • Andre Laestadius; Markus Penz; Erik Tellgren; Michael Ruggenthaler; Simen Kvaal & Trygve Helgaker (2019). Guaranteed convergence of a regularized Kohn-Sham iteration in finite dimensions.
  • Karen Oda Hjorth Dundas (2019). Let's be pedantic: When you ask for an IR intensity, what are you really calculating?.
  • Lukas Konecny; Marius Kadek; Kenneth Ruud & Michal Repisky (2019). Relativistic real-time time-dependent density functional theory for molecular properties.
  • Lukas Konecny; Michal Repisky; Kenneth Ruud & Stanislav Komorovsky (2019). Relativistic four-component linear damped response time-dependent density functional theory.
  • Kenneth Ruud (2019). Calculating molecular properties: From real-time method to (quasi)-energy derivatives.
  • Marius Kadek; Michal Repisky & Kenneth Ruud (2019). All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions.
  • Marius Kadek; Michal Repisky & Kenneth Ruud (2019). All-electron fully relativistic Kohn–Sham theory for solids using Gaussian-type basis functions.
  • Kenneth Ruud (2019). Computational approaches to linear and nonlinear chiroptical spectroscopy.
  • Kenneth Ruud (2019). Computational optical spectroscopy.
  • Karen Oda Hjorth Dundas (2019). Determination of IR and Raman spectra by means of Polarizable Embedding Method.
  • Michele Cascella (2019). Simulating Biological Systems Coupling Particles and Fields with Molecular Dynamics.
  • Michele Cascella (2019). Multiscale simulations of bio/soft-matter using particles and fields.
  • Michele Cascella (2019). Simulating biological soft systems coupling particles and fields with molecular dynamics.
  • Michele Cascella (2019). Simulating biological systems coupling particles and fields with molecular dynamics.
  • Michele Cascella (2019). Simulating biological systems coupling particles and fields with molecular dynamics.
  • Michele Cascella (2019). Simulating biological systems coupling particles and fields with molecular dynamics.
  • Luca Frediani (2019). MRChem: Quantum Chemistry at the basis set limit with Multiwavelets.
  • Julie Denise Josette Héron & David Balcells (2019). Computational Study of the Catalyst Activation of the Cu2AAC reaction.
  • Trygve Helgaker (2019). Chemistry in a strong magnetic field.
  • Trygve Helgaker (2019). Quantum-Chemical Calculations of NMR Parameters.
  • Odile Eisenstein (2019). Some insight in the mechanism of the Grignard reaction.
  • Trygve Helgaker (2019). Robust All-Electron Optimization of Orbital-Free Density-Functional Theory.
  • Odile Eisenstein (2019). Computations trying to catch up with experiments.
  • Odile Eisenstein (2019). « Quantum based » Computational chemistry: An interpret for structures and properties during chemical reaction.
  • Odile Eisenstein (2019). The 13C Solid State NMR Signature of Metal-bonded Carbon: An information of Bonding and Reactivity.
  • Odile Eisenstein (2019). Reactivity in organometallic complexes from Dynamic and solid-state NMR.
  • Trygve Helgaker (2019). Egil A. Hylleraas - a pioneer of computational quantum mechanics.
  • Trygve Helgaker (2019). Chemistry in a Strong Magnetic Field.
  • Trygve Helgaker (2019). Robust All-Electron Optimization of Orbital-Free Density-Functional Theory.
  • Trygve Helgaker (2019). Robust All-Electron Optimization of Orbital-Free Density-Functional Theory.
  • Trygve Helgaker (2019). Robust All-Electron Optimization of Orbital-Free Density-Functional Theory.
  • Trygve Helgaker (2019). Geometry optimization.
  • Trygve Helgaker (2019). Time-independent molecular properties.
  • Trygve Helgaker (2019). Molecules in magnetic fields.
  • Odile Eisenstein; Christophe Raynaud; Christophe Coperet; Richard A Andersen & Christopher Gordon (2019). To have and have not: the NMR signature of metal-C p bond.
  • Trygve Helgaker (2019). Molecular Magnetic Properties.
  • Odile Eisenstein; Christophe Raynaud & Christophe Coperet (2019). Anisotropy of solid state NMR Chemical Shift signal informs on the π character of M-alkyl σ-bond in d0metal alkyl complexes.
  • Odile Eisenstein (2019). Information about reactivity from NMR? An approach combining solid state NMR and quantum calculations.
  • Odile Eisenstein (2019). Challenging computational chemistry with chemical questions.
  • Odile Eisenstein (2019). Anisotropy of Solid State NMR Chemical Shift Signal and the Analysis of the Metal Alkyl Bond in d0 Metal Alkyl Complexes.
  •  (2019). CUBE3 - Computational Understanding of Biocatalytic Evolution to Extreme Environments.
  •  (2019). VR-teknologi og molekylær kjemi.
  •  (2019). Datakraft gir forskerne bedre intuisjon og flere ideer.
  •  (2019). Forskerne ved Hylleraas-senteret jakter på kjemiens hellige gral.
  •  (2019). Kan sjaman Durek Verrett snu atomer? – Vi snur atomkjernene hver dag i vitenskap og medisin, svarer forsker.
  •  (2019). SpectroscPy: Python tools for spectroscopy.
  • Lluis Artus Suarez (2018). Computational study on amide hydrogenolysis to methanol and amine..
  • Lluis Artus Suarez (2018). Computational study on amide hydrogenolysis to methanol and amine..
  • Kenneth Ruud (2018). Optical Probe Sensors at Biological Environments OPS@BE.
  • Trygve Helgaker (2018). Hylleraas Centre for Quantum Molecular Sciences — Ny giv i nytt senter, kvinnelige rollemodeller og nytt initiativ til karrierestøtte,.
  • Trygve Helgaker (2018). Hylleraas Centre for Quantum Molecular Sciences.
  • Geir Villy Isaksen (2018). Empirical Valence Bond..
  • Kenneth Ruud (2018). Relativt god kjemi.
  • Trygve Helgaker (2018). Kvantemekanikk og kjemi.
  • Trygve Helgaker (2018). Utenomjordisk kjemi.
  • Odile Eisenstein (2018). Chemistry: the Color of Universe.
  • Sangita Sen (2018). Excited Molecules in Strong Magnetic Fields.
  • Heike Fliegl; Trygve Helgaker & Erik Tellgren (2018). The effect of strong magnetic fields on the ring currents of tetraoxaisophlorin.
  • Elisa Rebolini; Gustav Baardsen; Audun Skau Hansen; Karl Roald Leikanger & Thomas Bondo Pedersen (2018). Error-controlled MP2 for periodic molecular systems.
  • Audun Skau Hansen; Gustav Baardsen; Lorenzo Maschio & Thomas Bondo Pedersen (2018). Locality and sparsity in local correlation calculations.
  • Lluis Artus Suarez; Ainara Nova; David Balcells & Mats Tilset (2018). Hydrogenation of amides to methanol and amines with an iron-based catalyst. A computational study..
  • Lluis Artus Suarez; Ainara Nova; David Balcells & Mats Tilset (2018). Computational study on the iron-catalyzed hydrogenation of amides to methanol and amines.
  • Gustav Baardsen; Elisa Rebolini; Audun Skau Hansen; Lorenzo Maschio; Karl Roald Leikanger & Thomas Bondo Pedersen (2018). The divide-expand-consolidate method for extended systems.
  • Geir Villy Isaksen; Johan Åqvist & Bjørn Olav Brandsdal (2018). Computation of Enzyme Temperature Adaptation - Protein Surface Softness Regulates the Enthalpy-Entropy Balance..
  • Kenneth Ruud; Swapan Chakrabarti & Lopa Paul (2018). Anomalous phosphorescence in organic and organometallic systems.
  • Kenneth Ruud (2018). Novel Chiroptical Spectroscopies.
  • Kenneth Ruud (2018). Vibrational optical activity and absolute configuration of natural products.
  • Marius Kadek (2018). 4-component self-consistent field method for periodic systems using Gaussian-type basis.
  • Marius Kadek (2018). Band gap opens due to spin-orbit interaction in 2D materials.
  • David Balcells (2018). Rational Design of Pd and Ni Catalysts for Cross-Coupling Reactions by Minimizing Off-Cycle Species.
  • Michele Cascella (2018). Coarse-graining peptides -- From particles to fields.
  • Michele Cascella (2018). Coarse-graining peptides -- from particles to fields.
  • Kathrin Helen Hopmann (2018). Selectivity! (ICIQ).
  • Heike Fliegl (2018). Linking magnetically induced currents to optical properties.
  • Heike Fliegl (2018). Theoretical studies as a tool for understanding the aromatic character of porphyrinoid compounds.
  • Michele Cascella (2018). Coarse grained models of protein and peptides using particles and fields.
  • Michele Cascella (2018). Entropy-driven polymorphism in micellar aggregates of a charged surfactant — a multi-scale study.
  • Heike Fliegl (2018). Theoretical studies as a tool for understanding the aromatic character of porphyrinoid compounds.
  • Kenneth Ruud (2018). Going big and complex.
  • Kenneth Ruud (2018). Relativistic effects in chemistry: Relatively unimportant?.
  • Kenneth Ruud (2018). Modeling nonlinear and multidimensional spectroscopies in complex systems.
  • Kenneth Ruud (2018). Reliable modeling of multiphoton absorption cross sections in complex (molecular) systems.
  • Kenneth Ruud; Lopa Paul & Swapan Chakrabarti (2018). Phosphorescence and triplet lasing in organic and organometallic systems.
  • Thomas Bondo Pedersen (2018). New Directions in Coupled-Cluster Theory.
  • Ainara Nova (2018). Towards the Conversion of Carbon Dioxide to Methanol: A Computational Study on the Iron-Catalyzed Hydrogenation of Amides.
  • Ainara Nova (2018). New Approaches to the Conversion of CO2 to Methanol.
  • Ainara Nova (2018). Computational Insight into the Conversion of CO2 to Methanol.
  • Roberto Di Remigio (2018). The Nordic Quantum Chemistry Library Ecosystem.
  • Magnus Ringholm & Kenneth Ruud (2018). 2D-IR spectroscopy with Wilson and OpenRSP.
  • Kathrin Helen Hopmann (2018). Useful Chemicals from CO2.
  • Kathrin Helen Hopmann (2018). Is Your Mechanism Correct? A Critical View on Computational Catalysis.
  • Kathrin Helen Hopmann (2018). Is Your Mechanism Correct? A Critical View on the Modelling of Reaction Mechanisms.
  • Kathrin Helen Hopmann (2018). Is Your Mechanism Correct? A Critical View on the Modelling of Reaction Mechanisms.
  • Marius Kadek (2018). Role of time-reversal symmetry in relativistic band-structure calculations of solids.
  • Kenneth Ruud (2018). Relativistic Real-time Calculations of Molecular Properties.
  • Kenneth Ruud (2018). Relativistic calculations of molecular properties in the time and frequency domain.
  • Kenneth Ruud (2018). Relativistic effects in chemistry: Relatively unimportant?.
  • Andre Laestadius; Markus Penz; Erik Tellgren; Michael Ruggenthaler; Simen Kvaal & Trygve Helgaker (2018). Generalized Kohn-Sham iteration on Banach Spaces.
  • Andre Laestadius & Simen Kvaal (2018). ANALYSIS OF THE EXTENDED COUPLED-CLUSTER METHOD IN QUANTUM CHEMISTRY.
  • Andre Laestadius; Fabian Maximilian Faulstich; Simen Kvaal; Örs Legeza & Reinhold Schneider (2018). The Study of Coupled-Cluster Methods Using Strong Monotonicity.
  • Andre Laestadius; Fabian Maximilian Faulstich; Simen Kvaal; Örs Legeza & Reinhold Schneider (2018). Analysis of The Coupled-Cluster Method Tailored by Tensor-Network States in Quantum Chemistry.
  • Thomas Bondo Pedersen & Simen Kvaal (2018). Time-Dependent Coupled-Cluster Theory.
  • Thomas Bondo Pedersen & Simen Kvaal (2018). Electron Dynamics with Coupled-Cluster Theory.
  • Michele Cascella (2018). Hybrid particle field models for peptide chains.
  • Michele Cascella (2018). Hybrid particle-field molecular dynamics: state of the art and challenges.
  • Michele Cascella (2018). Toward Molecular-Resolved Mesoscale Simulations of Soft Matter.
  • Trygve Helgaker (2018). Chemistry in Strong Magnetic Fields.
  • Trygve Helgaker (2018). Four-Way Correspondence of Density-Functional Theory.
  • Trygve Helgaker; Alex Borgoo; Jurgen Gauss; Florian Hampe; Wim Klopper; Sarah Reimann; Stella Stopkowicz; Andrew Michael Teale & Erik Tellgren (2018). Closed-Shell Molecular Paramagnetism.
  • Trygve Helgaker; Alex Borgoo; Jurgen Gauss; Florian Hampe; Wim Klopper; Sarah Reimann; Stella Stopkowicz; Andrew M. Teale & Erik Tellgren (2018). Closed-Shell Molecular Paramagnetism.
  • Trygve Helgaker (2018). Molecular Derivatives and Properties.
  • Trygve Helgaker (2018). Closed-Shell Molecular Paramagnetism.
  • Trygve Helgaker; Alex Borgoo; Maria Dimitrova; Jurgen Gauss; Florian Hampe; Christof Holzer; Wim Klopper; Trond Saue; Peter Schwerdtfeger; Stella Stopkowicz; Dage Sundholm; Andrew Michael Teale & Erik Tellgren (2018). Diamagnetism and Paramagnetism in Atoms and Molecules.
  • David Balcells (2018). Minimizing Off-Cycle Species in Palladium- and Nickel-Catalyzed Cross-Coupling Reactions.
  • David Balcells (2018). Minimizing Off-Cycle Species in the Design of New Catalysts for Cross-Coupling Reactions.
  • Geir Villy Isaksen (2018). SAM hydrolase (SVI-3) reaction mechanism.
  • Odile Eisenstein (2018). Analyzing reaction pathway: is there an alternative to energy ?.
  • Odile Eisenstein (2018). Information about reactivity from NMR? An approach combining solid state NMR and quantum calculations.
  • Odile Eisenstein (2018). Analyzing reaction pathway Is there an alternative to energy?.
  • Odile Eisenstein (2018). The adventures of a computational chemist among chemists.
  • Odile Eisenstein (2018). Information about reactivity from NMR? An approach combining solid state NMR and quantum calculations.
  • Odile Eisenstein; Christophe Raynaud & Christophe Coperet (2018). Information about reactivity from NMR? An approach combining solid state NMR and quantum calculations.
  • Odile Eisenstein (2018). Information about reactivity from NMR? An approach combining solid state NMR and quantum calculations.
  •  (2018). Nytt «designer-molekyl» kan spare industrien for store beløp.
  •  (2018). OpenRSP Version v.1.0.0-alpha.
  • Helen Vikdal Thorbjørnsrud (2018). Escaping Mediocrity - Activity and Regulation of a Catalytically Inefficient Enzyme. Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.. 1983.
  • Sarah Reimann (2018). Treatment of Magnetic Fields in Density-Functional Theory. Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.. 2027.
  • Raphael Mathias Peltzer (2018). Multi-scale computational modelling of bio-chemical systems in the condensed phase. Series of dissertations submitted to the Faculty of Mathematics and Natural Sciences, University of Oslo.. 2058.
  • Trygve Helgaker (2017). CTCC Review.
  • Trygve Helgaker (2017). Hylleraas Centre.
  • Karen Oda Hjorth Dundas (2017). Polarizable embedding and response theory.
  • Kenneth Ruud (2017). Modeling one- and multiphoton absorption in biomolecular systems.
  • Kenneth Ruud (2017). Qualitative insight into multiphoton absorption cross sections.
  • Trygve Helgaker (2017). Four-Way Correspondence of Density-Functional Theory.
  • Marius Kadek; Michal Repisky & Kenneth Ruud (2017). 4-component relativistic calculations with periodic boundary conditions.
  • Kenneth Ruud (2017). Modeling nonlinear and multidimensional spectroscopies in complex systems.
  • Michele Cascella (2017). Coarse-graining peptides -- From particles to fields.
  • Thomas Bondo Pedersen (2017). Coupled-cluster theory: Quo Vadis?.
  • Audun Skau Hansen (2017). Stochastic optimization of block Toeplitz matrices.
  • Audun Skau Hansen (2017). Stochastic optimization of block-Toeplitz matrices.

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Published May 8, 2019 10:35 AM - Last modified May 8, 2019 10:37 AM