Magdalena Pecul

The quantum-chemical calculation of NMR indirect spin–spin coupling constants

Trygve Helgaker, Michał Jaszuński, Magdalena Pecul · Progress in Nuclear Magnetic Resonance Spectroscopy · 2008 · 288 citations

Spin-orbit Effects, Physics, Natural Sciences +7

Density functional theory calculation of electronic circular dichroism using London orbitals

Magdalena Pecul, Kenneth Ruud, Trygve Helgaker · Chemical Physics Letters · 2004 · 125 citations

Engineering, London Orbitals, Physics +8

Conformational Effects on the Optical Rotation of Alanine and Proline

Magdalena Pecul, Kenneth Ruud, Antonio Rizzo et al. · The Journal of Physical Chemistry A · 2004 · 110 citations

Molecular Conformation, Molecular Spectroscopy, Engineering +14

Vibrational Raman and Raman Optical Activity Spectra of <scp>d</scp>-Lactic Acid, <scp>d</scp>-Lactate, and <scp>d</scp>-Glyceraldehyde:  Ab Initio Calculations

Magdalena Pecul, Antonio Rizzo, Jerzy Leszczyński · The Journal of Physical Chemistry A · 2002 · 103 citations

Molecular Spectroscopy, Natural Sciences, Spectroscopy +14

The selectivity of diglycolamide (TODGA) and bis-triazine-bipyridine (BTBP) ligands in actinide/lanthanide complexation and solvent extraction separation – a theoretical approach

J. Narbutt, Artur Wodyński, Magdalena Pecul · Dalton Transactions · 2014 · 97 citations

Solvent Extraction, Engineering, Organic Chemistry +16