Articles with public access mandates - Magdalena PeculLearn more
Not available anywhere: 3
High-order correlation effects on dynamic hyperpolarizabilities and their geometric derivatives: a comparison with density functional results
M Pecul, F Pawłowski, P Jørgensen, A Köhn, C Hättig
The Journal of chemical physics 124 (11), 2006
Mandates: German Research Foundation
Thioflavin T: electronic circular dichroism and circularly polarized luminescence induced by amyloid fibrils
A Rybicka, G Longhi, E Castiglioni, S Abbate, W Dzwolak, V Babenko, ...
ChemPhysChem 17 (18), 2931-2937, 2016
Mandates: Research Council of Norway
Induced circular dichroism of thioflavin T interacting with acetylcholinesterase: A computational study
A Rybicka, M Pecul
Chemical Physics 463, 82-87, 2015
Mandates: Research Council of Norway
Available somewhere: 5
Electronic circular dichroism of fluorescent proteins: a computational study
A Pikulska, AH Steindal, MTP Beerepoot, M Pecul
The Journal of Physical Chemistry B 119 (8), 3377-3386, 2015
Mandates: European Commission, Research Council of Norway
A computational protocol for the study of circularly polarized phosphorescence and circular dichroism in spin-forbidden absorption
M Kamiński, J Cukras, M Pecul, A Rizzo, S Coriani
Physical Chemistry Chemical Physics 17 (29), 19079-19086, 2015
Mandates: Research Council of Norway
Nuclear magnetic resonance parameters in Zn2, Cd2 and Hg2 dimers: relativistic calculations
K Jakubowska, M Pecul
Theoretical Chemistry Accounts 140, 1-7, 2021
Mandates: National Science Centre, Poland
Vibrational Corrections to NMR Spin–Spin Coupling Constants from Relativistic Four-Component DFT Calculations
K Jakubowska, M Pecul, K Ruud
The Journal of Physical Chemistry A 126 (39), 7013-7020, 2022
Mandates: Research Council of Norway, National Science Centre, Poland
Relativistic four-component DFT calculations of vibrational frequencies
K Jakubowska, M Pecul, K Ruud
The Journal of Physical Chemistry A 125 (48), 10315-10320, 2021
Mandates: Research Council of Norway, National Science Centre, Poland
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