| Year |
Citation |
Score |
| 2018 |
Curutchet C, Cupellini L, Kongsted J, Corni S, Frediani L, Steindal AH, Guido CA, Scalmani G, Mennucci B. Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models. Journal of Chemical Theory and Computation. PMID 29439575 DOI: 10.1021/Acs.Jctc.7B00912 |
0.8 |
|
| 2018 |
Di Remigio R, Steindal AH, Mozgawa K, Weijo V, Cao H, Frediani L. PCMSolver: An open-source library for solvation modeling International Journal of Quantum Chemistry. 119: e25685. DOI: 10.1002/Qua.25685 |
0.7 |
|
| 2016 |
Di Remigio R, Beerepoot MT, Cornaton Y, Ringholm M, Steindal AH, Ruud K, Frediani L. Open-ended formulation of self-consistent field response theory with the polarizable continuum model for solvation. Physical Chemistry Chemical Physics : Pccp. PMID 27905594 DOI: 10.1039/C6Cp06814F |
0.743 |
|
| 2016 |
Steindal AH, Beerepoot MT, Ringholm M, List NH, Ruud K, Kongsted J, Olsen JM. Open-ended response theory with polarizable embedding: multiphoton absorption in biomolecular systems. Physical Chemistry Chemical Physics : Pccp. 18: 28339-28352. PMID 27722558 DOI: 10.1039/C6Cp05297E |
0.793 |
|
| 2016 |
Beerepoot MT, Steindal AH, List NH, Kongsted J, Olsen JM. Averaged Solvent Embedding Potential Parameters for Multiscale Modeling of Molecular Properties. Journal of Chemical Theory and Computation. 12: 1684-95. PMID 26938368 DOI: 10.1021/Acs.Jctc.5B01000 |
0.771 |
|
| 2015 |
Pikulska A, Steindal AH, Beerepoot MT, Pecul M. Electronic circular dichroism of fluorescent proteins: a computational study. The Journal of Physical Chemistry. B. 119: 3377-86. PMID 25646666 DOI: 10.1021/Jp511199G |
0.789 |
|
| 2014 |
Aidas K, Angeli C, Bak KL, Bakken V, Bast R, Boman L, Christiansen O, Cimiraglia R, Coriani S, Dahle P, Dalskov EK, Ekström U, Enevoldsen T, Eriksen JJ, Ettenhuber P, ... ... Steindal AH, et al. The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews. Computational Molecular Science. 4: 269-284. PMID 25309629 DOI: 10.1002/Wcms.1172 |
0.701 |
|
| 2014 |
Beerepoot MTP, Steindal AH, Ruud K, Olsen JMH, Kongsted J. Convergence of environment polarization effects in multiscale modeling of excitation energies Computational and Theoretical Chemistry. 304-311. DOI: 10.1016/J.Comptc.2014.03.022 |
0.731 |
|
| 2013 |
Beerepoot MTP, Steindal AH, Kongsted J, Brandsdal BO, Frediani L, Ruud K, Olsen JMH. A polarizable embedding DFT study of one-photon absorption in fluorescent proteins Physical Chemistry Chemical Physics. 15: 4735-4743. PMID 23426505 DOI: 10.1039/C3Cp44659J |
0.765 |
|
| 2012 |
List NH, Olsen JM, Jensen HJ, Steindal AH, Kongsted J. Molecular-Level Insight into the Spectral Tuning Mechanism of the DsRed Chromophore. The Journal of Physical Chemistry Letters. 3: 3513-21. PMID 26290981 DOI: 10.1021/Jz3014858 |
0.438 |
|
| 2012 |
Steindal AH, Olsen JMH, Ruud K, Frediani L, Kongsted J. A combined quantum mechanics/molecular mechanics study of the one- and two-photon absorption in the green fluorescent protein Physical Chemistry Chemical Physics. 14: 5440-5451. PMID 22407300 DOI: 10.1039/C2Cp23537D |
0.811 |
|
| 2012 |
Steindal AH, Olsen JMH, Frediani L, Kongsted J, Ruud K. Parallelization of the polarizable embedding scheme for higher-order response functions Molecular Physics. 110: 2579-2586. DOI: 10.1080/00268976.2012.721016 |
0.808 |
|
| 2011 |
Rinkevicius Z, Murugan NA, Kongsted J, Frecuş B, Steindal AH, Ågren H. Density Functional Restricted-Unrestricted/Molecular Mechanics Theory for Hyperfine Coupling Constants of Molecules in Solution. Journal of Chemical Theory and Computation. 7: 3261-71. PMID 26598160 DOI: 10.1021/Ct2003572 |
0.517 |
|
| 2011 |
Rinkevicius Z, Murugan NA, Kongsted J, Aidas K, Steindal AH, Agren H. Density functional theory/molecular mechanics approach for electronic g-tensors of solvated molecules. The Journal of Physical Chemistry. B. 115: 4350-8. PMID 21449574 DOI: 10.1021/Jp1108653 |
0.596 |
|
| 2011 |
Steindal AH, Ruud K, Frediani L, Aidas K, Kongsted J. Excitation energies in solution: the fully polarizable QM/MM/PCM method. The Journal of Physical Chemistry. B. 115: 3027-37. PMID 21391548 DOI: 10.1021/Jp1101913 |
0.815 |
|
| 2011 |
Steindal AH, Ruud K, Frediani L, Aidas K, Kongsted J. Excitation energies in solution: The fully polarizable QM/MM/PCM method Journal of Physical Chemistry B. 115: 3027-3037. DOI: 10.1021/jp1101913 |
0.725 |
|
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