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Journal of Chemical Theory and Computation
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May 13, 2022
Polarizable Embedding Complex Polarization Propagator in Four- and Two-Component Frameworks
Joel Creutzberg, Erik D Hedegård
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
July 13, 2017
Targeting the reactive intermediate in polysaccharide monooxygenases
Erik D Hedegård, Ulf Ryde
ACS Omega
|
August 29, 2019
Multiscale Modelling of Lytic Polysaccharide Monooxygenases
Erik D Hedegård, Ulf Ryde
Journal of Chemical Theory and Computation
|
August 19, 2016
Polarizable Embedding Density Matrix Renormalization Group
Erik D Hedegård, Markus Reiher
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 7, 2022
Molecular Mechanism of Substrate Oxidation in Lytic Polysaccharide Monooxygenases: Insight from Theoretical Investigations
Marlisa M Hagemann, Erik D Hedegård
Inorganic Chemistry
|
September 1, 2010
Electron paramagnetic resonance studies of nitrosyl and thionitrosyl and density functional theory studies of nitrido, nitrosyl, thionitrosyl, and selenonitrosyl complexes of chromium
Johannes R Dethlefsen, Anders Døssing, Erik D Hedegård
Journal of Computational Chemistry
|
July 26, 2014
Basis set error estimation for DFT calculations of electronic g-tensors for transition metal complexes
Morten N Pedersen, Erik D Hedegård, Jacob Kongsted
Physical Chemistry Chemical Physics : PCCP
|
July 13, 2012
Improving the calculation of Electron Paramagnetic Resonance hyperfine coupling tensors for d-block metals
Erik D Hedegård, Jacob Kongsted, Stephan P A Sauer
The Journal of Physical Chemistry. A
|
July 3, 2023
Theoretical and Numerical Comparison of Quantum- and Classical Embedding Models for Optical Spectra
Marina Jansen, Peter Reinholdt, Erik D Hedegård, et al.
The Journal of Physical Chemistry. A
|
December 17, 2015
Excitation Spectra of Nucleobases with Multiconfigurational Density Functional Theory
Mickaël Hubert, Hans Jørgen Aa Jensen, Erik D Hedegård
Page
of 3
Search research articles
Search
Showing results (1-10 of 27) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
May 13, 2022
Polarizable Embedding Complex Polarization Propagator in Four- and Two-Component Frameworks
Joel Creutzberg, Erik D Hedegård
Journal of Biological Inorganic Chemistry : JBIC : a Publication of the Society of Biological Inorganic Chemistry
|
July 13, 2017
Targeting the reactive intermediate in polysaccharide monooxygenases
Erik D Hedegård, Ulf Ryde
ACS Omega
|
August 29, 2019
Multiscale Modelling of Lytic Polysaccharide Monooxygenases
Erik D Hedegård, Ulf Ryde
Journal of Chemical Theory and Computation
|
August 19, 2016
Polarizable Embedding Density Matrix Renormalization Group
Erik D Hedegård, Markus Reiher
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 7, 2022
Molecular Mechanism of Substrate Oxidation in Lytic Polysaccharide Monooxygenases: Insight from Theoretical Investigations
Marlisa M Hagemann, Erik D Hedegård
Inorganic Chemistry
|
September 1, 2010
Electron paramagnetic resonance studies of nitrosyl and thionitrosyl and density functional theory studies of nitrido, nitrosyl, thionitrosyl, and selenonitrosyl complexes of chromium
Johannes R Dethlefsen, Anders Døssing, Erik D Hedegård
Journal of Computational Chemistry
|
July 26, 2014
Basis set error estimation for DFT calculations of electronic g-tensors for transition metal complexes
Morten N Pedersen, Erik D Hedegård, Jacob Kongsted
Physical Chemistry Chemical Physics : PCCP
|
July 13, 2012
Improving the calculation of Electron Paramagnetic Resonance hyperfine coupling tensors for d-block metals
Erik D Hedegård, Jacob Kongsted, Stephan P A Sauer
The Journal of Physical Chemistry. A
|
July 3, 2023
Theoretical and Numerical Comparison of Quantum- and Classical Embedding Models for Optical Spectra
Marina Jansen, Peter Reinholdt, Erik D Hedegård, et al.
The Journal of Physical Chemistry. A
|
December 17, 2015
Excitation Spectra of Nucleobases with Multiconfigurational Density Functional Theory
Mickaël Hubert, Hans Jørgen Aa Jensen, Erik D Hedegård
Page
of 3