| Year |
Citation |
Score |
| 2023 |
Eikås KDR, Krupová M, Kristoffersen T, Beerepoot MTP, Ruud K. Can the absolute configuration of cyclic peptides be determined with vibrational circular dichroism? Physical Chemistry Chemical Physics : Pccp. PMID 37190985 DOI: 10.1039/d2cp04942b |
0.592 |
|
| 2022 |
Eikås KDR, Beerepoot MTP, Ruud K. A Computational Protocol for Vibrational Circular Dichroism Spectra of Cyclic Oligopeptides. The Journal of Physical Chemistry. A. PMID 35930395 DOI: 10.1021/acs.jpca.2c02953 |
0.646 |
|
| 2022 |
Chołuj M, Alam MM, Beerepoot MTP, Sitkiewicz SP, Matito E, Ruud K, Zaleśny R. Choosing Bad versus Worse: Predictions of Two-Photon-Absorption Strengths Based on Popular Density Functional Approximations. Journal of Chemical Theory and Computation. 18: 1046-1060. PMID 35080389 DOI: 10.1021/acs.jctc.1c01056 |
0.704 |
|
| 2021 |
Dundas KOHM, Beerepoot MTP, Ringholm M, Reine S, Bast R, List NH, Kongsted J, Ruud K, Olsen JMH. Harmonic Infrared and Raman Spectra in Molecular Environments Using the Polarizable Embedding Model. Journal of Chemical Theory and Computation. PMID 34009969 DOI: 10.1021/acs.jctc.0c01323 |
0.764 |
|
| 2020 |
Alam MM, Beerepoot MTP, Ruud K. A generalized few-state model for the first hyperpolarizability. The Journal of Chemical Physics. 152: 244106. PMID 32610988 DOI: 10.1063/5.0010231 |
0.637 |
|
| 2018 |
Beerepoot MTP, Alam MM, Bednarska J, Bartkowiak W, Ruud K, Zalesny R. Benchmarking the Performance of Exchange-Correlation Functionals for Predicting Two-Photon Absorption Strengths. Journal of Chemical Theory and Computation. PMID 29852067 DOI: 10.1021/Acs.Jctc.8B00245 |
0.661 |
|
| 2017 |
Alam MM, Beerepoot MTP, Ruud K. Channel interference in multiphoton absorption. The Journal of Chemical Physics. 146: 244116. PMID 28668033 DOI: 10.1063/1.4990438 |
0.641 |
|
| 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 |
0.728 |
|
| 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 |
0.77 |
|
| 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 |
0.748 |
|
| 2015 |
Beerepoot MT, Friese DH, List NH, Kongsted J, Ruud K. Benchmarking two-photon absorption cross sections: performance of CC2 and CAM-B3LYP. Physical Chemistry Chemical Physics : Pccp. 17: 19306-14. PMID 26139162 DOI: 10.1039/C5Cp03241E |
0.776 |
|
| 2015 |
Friese DH, Beerepoot MT, Ringholm M, Ruud K. Open-Ended Recursive Approach for the Calculation of Multiphoton Absorption Matrix Elements. Journal of Chemical Theory and Computation. 11: 1129-44. PMID 25821415 DOI: 10.1021/Ct501113Y |
0.761 |
|
| 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 |
0.775 |
|
| 2015 |
List NH, Beerepoot MT, Olsen JM, Gao B, Ruud K, Jensen HJ, Kongsted J. Molecular quantum mechanical gradients within the polarizable embedding approach--application to the internal vibrational Stark shift of acetophenone. The Journal of Chemical Physics. 142: 034119. PMID 25612701 DOI: 10.1063/1.4905909 |
0.715 |
|
| 2015 |
Schwabe T, Beerepoot MT, Olsen JM, Kongsted J. Analysis of computational models for an accurate study of electronic excitations in GFP. Physical Chemistry Chemical Physics : Pccp. 17: 2582-8. PMID 25494098 DOI: 10.1039/C4Cp04524F |
0.336 |
|
| 2014 |
Friese DH, Beerepoot MT, Ruud K. Rotational averaging of multiphoton absorption cross sections. The Journal of Chemical Physics. 141: 204103. PMID 25429929 DOI: 10.1063/1.4901563 |
0.782 |
|
| 2014 |
Beerepoot MT, Friese DH, Ruud K. Intermolecular charge transfer enhances two-photon absorption in yellow fluorescent protein. Physical Chemistry Chemical Physics : Pccp. 16: 5958-64. PMID 24549316 DOI: 10.1039/C3Cp55205E |
0.799 |
|
| 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 |
0.777 |
|
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