Estimates of the energy of intramolecular hydrogen bonds M Jabłoński, A Kaczmarek, AJ Sadlej The Journal of Physical Chemistry A 110 (37), 10890-10898, 2006 | 160 | 2006 |
Nature of a hydride–halogen bond. A SAPT-, QTAIM-, and NBO-based study M Jabłoński, M Palusiak The Journal of Physical Chemistry A 116 (9), 2322-2332, 2012 | 118 | 2012 |
Basis set and method dependence in atoms in molecules calculations M Jabłoński, M Palusiak The Journal of Physical Chemistry A 114 (5), 2240-2244, 2010 | 101 | 2010 |
Energetic and geometrical evidence of nonbonding character of some intramolecular halogen··· oxygen and other Y··· Y interactions M Jabłoński The Journal of Physical Chemistry A 116 (14), 3753-3764, 2012 | 100 | 2012 |
Basis set and method dependence in quantum theory of atoms in molecules calculations for covalent bonds M Jabłoński, M Palusiak The Journal of Physical Chemistry A 114 (47), 12498-12505, 2010 | 76 | 2010 |
On the uselessness of bond paths linking distant atoms and on the violation of the concept of privileged exchange channels M Jabłoński ChemistryOpen 8 (4), 497-507, 2019 | 69 | 2019 |
Bond paths between distant atoms do not necessarily indicate dominant interactions M Jabłoński Journal of Computational Chemistry 39 (26), 2183-2195, 2018 | 57 | 2018 |
A critical overview of current theoretical methods of estimating the energy of intramolecular interactions M Jabłoński Molecules 25 (23), 5512, 2020 | 55 | 2020 |
The nature of NO-bonding in N-oxide group M Łukomska, AJ Rybarczyk-Pirek, M Jabłoński, M Palusiak Physical Chemistry Chemical Physics 17 (25), 16375-16387, 2015 | 53 | 2015 |
Divalent carbon atom as the proton acceptor in hydrogen bonding M Jabłoński, M Palusiak Physical Chemistry Chemical Physics 11 (27), 5711-5719, 2009 | 49 | 2009 |
Full vs. constrain geometry optimization in the open–closed method in estimating the energy of intramolecular charge-inverted hydrogen bonds M Jabłoński Chemical Physics 376 (1-3), 76-83, 2010 | 44 | 2010 |
Binding of X–H to the lone-pair vacancy: Charge-inverted hydrogen bond M Jabłoński Chemical Physics Letters 477 (4-6), 374-376, 2009 | 43 | 2009 |
Different Zeroes of Interaction Energies As the Cause of Opposite Results on the Stabilizing Nature of C–H··· O Intramolecular Interactions M Jabłoński, G Monaco Journal of chemical information and modeling 53 (7), 1661-1675, 2013 | 41 | 2013 |
The halogen⋯ oxygen interaction in 3-halogenopropenal revisited–The dimer model vs. QTAIM indications M Jabłoński, M Palusiak Chemical Physics 415, 207-213, 2013 | 37 | 2013 |
Hydride‐Triel Bonds M Jabłoński Journal of Computational Chemistry 39 (19), 1177-1191, 2018 | 36 | 2018 |
QTAIM-based comparison of agostic bonds and intramolecular charge-inverted hydrogen bonds M Jabłoński The Journal of Physical Chemistry A 119 (20), 4993-5008, 2015 | 33 | 2015 |
Blue-Shifting Intramolecular C− H⊙⊙⊙ O Interactions M Jabłoński, AJ Sadlej The Journal of Physical Chemistry A 111 (17), 3423-3431, 2007 | 33 | 2007 |
The electronic spectra of aryl olefins: A theoretical study of phenylacetylene L Serrano-Andrés, M Merchán, M Jabłoński The Journal of chemical physics 119 (8), 4294-4304, 2003 | 31 | 2003 |
Influence of confinement on hydrogen bond energy. The case of the FH··· NCH dimer M Jabłoński, M Sola The Journal of Physical Chemistry A 114 (37), 10253-10260, 2010 | 30 | 2010 |
Theoretical insight into the nature of the intermolecular charge-inverted hydrogen bond M Jabłoński Computational and Theoretical Chemistry 998, 39-45, 2012 | 29 | 2012 |