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Morten S. Nørby
Morten S. Nørby
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Damped response theory in combination with polarizable environments: The polarizable embedding complex polarization propagator method
MN Pedersen, ED Hedegard, JMH Olsen, J Kauczor, P Norman, ...
Journal of Chemical Theory and Computation 10 (3), 1164-1171, 2014
622014
Response properties of embedded molecules through the polarizable embedding model
C Steinmann, P Reinholdt, MS Nørby, J Kongsted, JMH Olsen
International Journal of Quantum Chemistry 119 (1), e25717, 2019
512019
Theoretical study on ThF+, a prospective system in search of time-reversal violation
M Denis, MS Nørby, HJA Jensen, ASP Gomes, MK Nayak, S Knecht, ...
New Journal of Physics 17 (4), 043005, 2015
472015
Effect of Polarization on the Mobility of C60: A Kinetic Monte Carlo Study
R Volpi, S Kottravel, MS Nørby, S Stafstrom, M Linares
Journal of chemical theory and computation 12 (2), 812-824, 2016
282016
Correlated four-component EPR g-tensors for doublet molecules
MS Vad, MN Pedersen, A Nørager, HJA Jensen
The Journal of Chemical Physics 138 (21), 2013
262013
Computational approach for studying optical properties of DNA systems in solution
MS Nørby, C Steinmann, JMH Olsen, H Li, J Kongsted
Journal of Chemical Theory and Computation 12 (10), 5050-5057, 2016
252016
DNA electronic circular dichroism on the inter-base pair scale: an experimental–theoretical case study of the at homo-oligonucleotide
F Di Meo, MN Pedersen, J Rubio-Magnieto, M Surin, M Linares, ...
The journal of physical chemistry letters 6 (3), 355-359, 2015
252015
Theoretical Study of the Charge-Transfer State Separation within Marcus Theory: The C60-Anthracene Case Study
R Volpi, R Nassau, MS Nørby, M Linares
ACS Applied Materials & Interfaces 8 (37), 24722-24736, 2016
232016
Enhancement of internal motions of lysozyme through interaction with gold nanoclusters and its optical imaging
SK Mudedla, ERA Singam, J Vijay Sundar, MN Pedersen, NA Murugan, ...
The Journal of Physical Chemistry C 119 (1), 653-664, 2015
192015
Absorption spectra of FAD embedded in cryptochromes
C Nielsen, MS Nørby, J Kongsted, IA Solov’yov
The Journal of Physical Chemistry Letters 9 (13), 3618-3623, 2018
182018
Modeling of magnetic circular dichroism and UV/Vis absorption spectra using fluctuating charges or polarizable embedding within a resonant-convergent response theory formalism
P Reinholdt, MS Nørby, J Kongsted
Journal of Chemical Theory and Computation 14 (12), 6391-6404, 2018
132018
Modeling electronic circular dichroism within the polarizable embedding approach
MS Nørby, JMH Olsen, C Steinmann, J Kongsted
Journal of Chemical Theory and Computation 13 (9), 4442-4451, 2017
132017
Assessing frequency-dependent site polarisabilities in linear response polarisable embedding
MS Nørby, O Vahtras, P Norman, J Kongsted
Molecular Physics 115 (1-2), 39-47, 2017
132017
PElib: The Polarizable Embedding Library
JMH Olsen, NH List, C Steinmann, AH Steindal, MS Nørby, P Reinholdt
Zenodo, 2018
102018
PElib: The Polarizable Embedding library, 2018
JMH Olsen, NH List, C Steinmann, AH Steindal, MS Nørby, P Reinholdt
DOI, 0
10
Modeling magnetic circular dichroism within the polarizable embedding approach
MS Nørby, S Coriani, J Kongsted
Theoretical Chemistry Accounts 137 (4), 49, 2018
72018
One-photon absorption properties from a hybrid Polarizable Density Embedding/Complex Polarization Propagator approach for polarizable solutions
D Hrsak, MS Nørby, S Coriani, J Kongsted
Journal of chemical theory and computation 14 (4), 2145-2154, 2018
52018
Multipole moments for embedding potentials: Exploring different atomic allocation algorithms
M S. Nørby, J Magnus Haugaard Olsen, J Kongsted, HJ Aagard Jensen
Journal of Computational Chemistry 37 (20), 1887-1896, 2016
52016
Basis set error estimation for DFT calculations of electronic g‐tensors for transition metal complexes
MN Pedersen, ED Hedegård, J Kongsted
Journal of Computational Chemistry 35 (25), 1809-1814, 2014
42014
Linear dæmpet responsteori indenfor polarizable embedding
MS Nørby
2017
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Artikler 1–20