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Agnieszka J Gordon
Agnieszka J Gordon
Inne imiona/nazwiskaAgnieszka J Abkowicz-Bienko, Agnieszka J. Bienko, Agnieszka J. Abkowicz
Faculty of Chemistry, University of Wroclaw
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Density functional, Hartree− Fock, and MP2 studies on the vibrational spectrum of phenol
D Michalska, DC Bieńko, AJ Abkowicz-Bieńko, Z Latajka
The Journal of Physical Chemistry 100 (45), 17786-17790, 1996
1941996
Theoretical infrared spectrum and revised assignment for para-nitrophenol. Density functional theory studies
AJ Abkowicz-Bieńko, Z Latajka, DC Bieńko, D Michalska
Chemical Physics 250 (2), 123-129, 1999
1171999
[NHN]+ Hydrogen Bonding in Protonated 1,8-Bis(dimethylamino)-2,7-dimethoxynaphthalene. X-ray Diffraction, Infrared, and Theoretical ab Initio and DFT Studies
VA Ozeryanskii, AF Pozharskii, AJ Bieńko, W Sawka-Dobrowolska, ...
The Journal of Physical Chemistry A 109 (8), 1637-1642, 2005
572005
On the multiple B–N bonding in boron compounds using the topological analysis of electron localization function (ELF)
S Berski, Z Latajka, AJ Gordon
New Journal of Chemistry 35 (1), 89-96, 2011
502011
Density functional studies on the two conformers of 2-fluoro-4, 6-dinitrophenol: vibrational assignment based on potential energy distribution
AJ Abkowicz-Bienko, DC Bienko, Z Latajka
Journal of Molecular Structure 552 (1-3), 165-175, 2000
482000
Low barrier hydrogen bond in protonated proton sponge. X-ray diffraction, infrared, and theoretical ab initio and density functional theory studies
AJ Bieńko, Z Latajka, W Sawka-Dobrowolska, L Sobczyk, VA Ozeryanskii, ...
The Journal of chemical physics 119 (8), 4313-4319, 2003
462003
Topological analysis of the electron localisation function (ELF) applied to the electronic structure of oxaziridine: the nature of NO bond
M Michalski, AJ Gordon, S Berski
Structural Chemistry 30, 2181-2189, 2019
282019
The nature of multiple boron-nitrogen bonds studied using electron localization function (ELF), electron density (AIM), and natural bond orbital (NBO) methods
G Mierzwa, AJ Gordon, S Berski
Journal of molecular modeling 26, 1-23, 2020
272020
Solvent effect on hydrogen bonded ammonia–hydrogen halide complexes: continuum medium versus cluster models
A Abkowicz-Bieńko, M Biczysko, Z Latajka
Computers & Chemistry 24 (3-4), 303-309, 2000
262000
Density Functional Study on Phenol Derivative− Ammonia Complexes in the Gas Phase
AJ Abkowicz-Bieñko, Z Latajka
The Journal of Physical Chemistry A 104 (5), 1004-1008, 2000
242000
Characterisation of the reaction mechanism between ammonia and formaldehyde from the topological analysis of ELF and catastrophe theory perspective
A Ćmikiewicz, AJ Gordon, S Berski
Structural Chemistry 29, 243-255, 2018
232018
Electron localization function and electron localizability indicator applied to study the bonding in the peroxynitrous acid HOONO
S Berski, Z Latajka, AJ Gordon
Journal of Computational Chemistry 32 (8), 1528-1540, 2011
192011
On the nature of interactions in the F2OXeNCCH3 complex: Is there the Xe(IV)N bond?
E Makarewicz, J Lundell, AJ Gordon, S Berski
Journal of Computational Chemistry 37 (20), 1876-1886, 2016
162016
On the multiple BO bonding using the topological analysis of Electron Localisation Function (ELF)
G Mierzwa, AJ Gordon, Z Latajka, S Berski
Computational and Theoretical Chemistry 1053, 130-141, 2015
162015
Nature of the bonding in the AuNgX (Ng= Ar, Kr, Xe; X= F, Cl, Br, I) molecules. Topological study on electron density and the electron localization function (ELF)
E Makarewicz, AJ Gordon, S Berski
The Journal of Physical Chemistry A 119 (11), 2401-2412, 2015
152015
Electron localization function study on the chemical bonding in a real space for tetrahedrane, cubane, adamantane, and dodecahedrane and their perfluorinated derivatives and …
S Berski, AJ Gordon, Z Latajka
The Journal of Physical Chemistry A 118 (23), 4147-4156, 2014
152014
Electron localization function study on intramolecular electron transfer in the QTTFQ and DBTTFI radical anions
J Kalinowski, S Berski, AJ Gordon
The Journal of Physical Chemistry A 115 (46), 13513-13522, 2011
142011
Quantum chemical topology study on the electronic structure of cis-and trans-FONO
S Berski, Z Latajka, AJ Gordon
The Journal of chemical physics 133 (3), 2010
132010
The DFT study on the reaction between benzaldehyde and 4-amine-4H-1, 2, 4-triazole and their derivatives as a source of stable hemiaminals and schiff bases. Effect of …
S Berski, AJ Gordon, LZ Ciunik
Journal of molecular modeling 21, 1-17, 2015
122015
Topological analysis of electron localisation function: unlocking the nature of BC chemical bond. Possible existence of multiple bonds BC and BC
G Mierzwa, AJ Gordon, S Berski
Polyhedron 170, 180-187, 2019
102019
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