A uniform approach to the description of multicenter bonding DW Szczepanik, M Andrzejak, K Dyduch, E Żak, M Makowski, G Mazur, ... Physical Chemistry Chemical Physics 16 (38), 20514-20523, 2014 | 130 | 2014 |
The electron density of delocalized bonds (EDDB) applied for quantifying aromaticity DW Szczepanik, M Andrzejak, J Dominikowska, B Pawełek, ... Physical Chemistry Chemical Physics 19 (42), 28970-28981, 2017 | 126 | 2017 |
The role of the long‐range exchange corrections in the description of electron delocalization in aromatic species DW Szczepanik, M Sola, M Andrzejak, B Pawełek, J Dominikowska, ... Journal of Computational Chemistry 38 (18), 1640-1654, 2017 | 78 | 2017 |
Quantum chemical results as input for solid state calculations: charge transfer states in molecular crystals M Andrzejak, G Mazur, P Petelenz Journal of Molecular Structure: THEOCHEM 527 (1-3), 91-102, 2000 | 46 | 2000 |
The structure of the boron trifluoride-ammonia complex: a Fourier transform matrix isolation infrared spectroscopic and ab initio molecular orbital study LM Nxumalo, M Andrzejak, TA Ford Vibrational spectroscopy 12 (2), 221-235, 1996 | 45 | 1996 |
Aromaticity of acenes: the model of migrating π-circuits DW Szczepanik, M Sola, TM Krygowski, H Szatylowicz, M Andrzejak, ... Physical Chemistry Chemical Physics 20 (19), 13430-13436, 2018 | 42 | 2018 |
Theoretical calculation of the electro-absorption spectrum of the α-sexithiophene single crystal M Andrzejak, P Petelenz, M Slawik, RW Munn The Journal of chemical physics 117 (3), 1328-1335, 2002 | 40 | 2002 |
Vibronic interpretation of the low-energy absorption spectrum of the sexithiophene single crystal P Petelenz, M Andrzejak The Journal of Chemical Physics 113 (24), 11306-11314, 2000 | 40 | 2000 |
The Vibrational Spectra of the Boron Halides and Their Molecular Complexes. 3. Ab Initio Predictions of the Structures, Energetics, and Mulliken Atomic Charges of … LM Nxumalo, M Andrzejak, TA Ford Journal of chemical information and computer sciences 36 (3), 377-384, 1996 | 40 | 1996 |
Avoiding pitfalls of a theoretical approach: the harmonic oscillator measure of aromaticity index from quantum chemistry calculations M Andrzejak, P Kubisiak, KK Zborowski Structural Chemistry 24, 1171-1184, 2013 | 37 | 2013 |
Vibronic coupling in dimer–A convenient approximation revisited M Andrzejak, P Petelenz Chemical physics 335 (2-3), 155-163, 2007 | 32 | 2007 |
Fourier transform infrared and Raman and surface-enhanced Raman spectroscopy studies of a novel group of boron analogues of aminophosphonic acids N Piergies, E Proniewicz, A Kudelski, A Rydzewska, Y Kim, M Andrzejak, ... The Journal of Physical Chemistry A 116 (40), 10004-10014, 2012 | 24 | 2012 |
Vibronic Effects in the 11Bu(11B2) Excited Singlet States of Oligothiophenes. Fluorescence Study of the 11Ag(11A1) ← 11Bu(11B2) Transition in … M Andrzejak, MT Pawlikowski The Journal of Physical Chemistry A 112 (51), 13737-13744, 2008 | 23 | 2008 |
The vibrational spectra of the boron halides and their molecular complexes: Part 7. Ab initio predictions of the infrared spectra of the complexes of boron trifluoride with … LM Nxumalo, M Andrzejak, TA Ford Journal of molecular structure 509 (1-3), 287-295, 1999 | 22 | 1999 |
Vibrational characterization of L‐valine phosphonate dipeptides: FT‐IR, FT‐RS, and SERS spectroscopy studies and DFT calculations E Podstawka‐Proniewicz, M Andrzejak, P Kafarski, Y Kim, LM Proniewicz Journal of Raman Spectroscopy 42 (5), 958-979, 2011 | 20 | 2011 |
The elusive excited states of bithiophene: a CASPT2 detective story M Andrzejak, HA Witek Theoretical Chemistry Accounts 129, 161-172, 2011 | 19 | 2011 |
Davydov splitting in the sexithiophene crystal P Petelenz, M Andrzejak Chemical physics letters 343 (1-2), 139-142, 2001 | 19 | 2001 |
The lowest triplet states of bridged cis-2, 2′-bithiophenes–theory vs. experiment M Andrzejak, DW Szczepanik, Ł Orzeł Physical Chemistry Chemical Physics 17 (7), 5328-5337, 2015 | 18 | 2015 |
Photophysical properties of some donor–acceptor 1H-pyrazolo [3, 4-b] quinolines: Radiative versus non-radiative electron transfer processes M Mac, T Uchacz, M Andrzejak, A Danel, P Szlachcic Journal of Photochemistry and Photobiology A: Chemistry 187 (1), 78-86, 2007 | 17 | 2007 |
Calculation of refractive indices and local electric field tensors in α-sexithiophene crystal RW Munn, M Andrzejak, P Petelenz, A Degli Esposti, C Taliani Chemical physics letters 336 (3-4), 357-363, 2001 | 17 | 2001 |