Jógvan Magnus Haugaard Olsen
Jógvan Magnus Haugaard Olsen
Department of Chemistry, Technical University of Denmark
kemi.dtu.dk üzerinde doğrulanmış e-posta adresine sahip
Başlık
Alıntı yapanlar
Alıntı yapanlar
Yıl
The Dalton quantum chemistry program system
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014
998*2014
Excited states in solution through polarizable embedding
JM Olsen, K Aidas, J Kongsted
Journal of Chemical Theory and Computation 6 (12), 3721-3734, 2010
2752010
Molecular properties through polarizable embedding
JMH Olsen, J Kongsted
Adv. Quantum Chem 61, 107-143, 2011
152*2011
Solvation effects on electronic transitions: Exploring the performance of advanced solvent potentials in polarizable embedding calculations
T Schwabe, JMH Olsen, K Sneskov, J Kongsted, O Christiansen
Journal of Chemical Theory and Computation 7 (7), 2209-2217, 2011
772011
PERI–CC2: A Polarizable Embedded RI-CC2 Method
T Schwabe, K Sneskov, JMH Olsen, J Kongsted, O Christiansen, ...
Journal of Chemical Theory and Computation 8 (9), 3274-3283, 2012
762012
Polarizable density embedding: A new QM/QM/MM-based computational strategy
JMH Olsen, C Steinmann, K Ruud, J Kongsted
The Journal of Physical Chemistry A 119 (21), 5344-5355, 2015
652015
A combined quantum mechanics/molecular mechanics study of the one-and two-photon absorption in the green fluorescent protein
AH Steindal, JMH Olsen, K Ruud, L Frediani, J Kongsted
Physical Chemistry Chemical Physics 14 (16), 5440-5451, 2012
652012
Solvatochromic shifts in uracil: a combined MD-QM/MM study
JM Olsen, K Aidas, KV Mikkelsen, J Kongsted
Journal of Chemical Theory and Computation 6 (1), 249-256, 2010
602010
Excited states in large molecular systems through polarizable embedding
NH List, JMH Olsen, J Kongsted
Physical Chemistry Chemical Physics 18 (30), 20234-20250, 2016
572016
Molecular-level insight into the spectral tuning mechanism of the DsRed chromophore
NH List, JMH Olsen, HJA Jensen, AH Steindal, J Kongsted
The Journal of Physical Chemistry Letters 3 (23), 3513-3521, 2012
502012
The DIRAC code for relativistic molecular calculations
T Saue, R Bast, ASP Gomes, HJA Jensen, L Visscher, IA Aucar, ...
The Journal of Chemical Physics 152 (20), 204104, 2020
492020
Quantifying electron transfer reactions in biological systems: what interactions play the major role?
E Sjulstok, JMH Olsen, IA Solov’yov
Scientific Reports 5 (1), 1-11, 2015
472015
Damped response theory in combination with polarizable environments: The polarizable embedding complex polarization propagator method
MN Pedersen, ED Hedegård, JMH Olsen, J Kauczor, P Norman, ...
Journal of Chemical Theory and Computation 10 (3), 1164-1171, 2014
472014
A polarizable embedding DFT study of one-photon absorption in fluorescent proteins
MTP Beerepoot, AH Steindal, J Kongsted, BO Brandsdal, L Frediani, ...
Physical Chemistry Chemical Physics 15 (13), 4735-4743, 2013
452013
Performance of popular XC‐functionals for the description of excitation energies in GFP‐like chromophore models
NH List, JM Olsen, T Rocha‐Rinza, O Christiansen, J Kongsted
International Journal of Quantum Chemistry 112 (3), 789-800, 2012
452012
Accuracy of protein embedding potentials: An analysis in terms of electrostatic potentials
JMH Olsen, NH List, K Kristensen, J Kongsted
Journal of Chemical Theory and Computation 11 (4), 1832-1842, 2015
402015
Analysis of computational models for an accurate study of electronic excitations in GFP
T Schwabe, MTP Beerepoot, JMH Olsen, J Kongsted
Physical Chemistry Chemical Physics 17 (4), 2582-2588, 2014
392014
Polarizable density embedding: A solution to the electron spill-out problem in multiscale modeling
P Reinholdt, J Kongsted, JMH Olsen
The Journal of Physical Chemistry Letters 8 (23), 5949-5958, 2017
362017
Convergence of environment polarization effects in multiscale modeling of excitation energies
MTP Beerepoot, AH Steindal, K Ruud, JMH Olsen, J Kongsted
Computational and Theoretical Chemistry 1040, 304-311, 2014
332014
Nuclear magnetic shielding constants from quantum mechanical/molecular mechanical calculations using polarizable embedding: Role of the embedding potential
C Steinmann, JMH Olsen, J Kongsted
Journal of Chemical Theory and Computation 10 (3), 981-988, 2014
332014
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Makaleler 1–20