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1

Toward a Physical Interpretation of Substituent Effects: The Case of Fluorine and Trifluoromethyl Groups

Siodła, Tomasz, Ozimiński, Wojciech P., Hoffmann, Marcin, Koroniak, Henryk, Krygowski, Tadeusz M.

Journal:

Journal of Organic Chemistry

Année:

2014

Langue:

english

Fichier:

PDF, 2.99 MB

english, 2014

2

The platinum complexes with histamine: Pt(II)(Hist)Cl2, Pt(II)(Iodo-Hist)Cl2 and Pt(IV)(Hist)2Cl2

Wojciech P. Ozimiński, Piotr Garnuszek, Elżbieta Bednarek, Jan Cz. Dobrowolski

Journal:

Inorganica Chimica Acta

Année:

2007

Langue:

english

Fichier:

PDF, 779 KB

english, 2007

3

On the tautomerism, planarity, and vibrations of phospholes

Wojciech P. Ozimiński, Jan Cz. Dobrowolski

Journal:

Chemical Physics

Année:

2005

Langue:

english

Fichier:

PDF, 158 KB

english, 2005

4

Aromatization of rings of fulvene and heptafulvene due to the through space interactions in [34]3,4,6,6-fulvene-4,5,8,8-heptafulvene-cyclophane

Wojciech P. Oziminski, Tadeusz M. Krygowski

Journal:

Computational and Theoretical Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 562 KB

english, 2011

5

Effect of aromatization of the ring on intramolecular H-bond in 3-hydroxy-4-formylo derivatives of fulvene

Wojciech P. Oziminski, Tadeusz M. Krygowski

Journal:

Chemical Physics Letters

Année:

2011

Langue:

english

Fichier:

PDF, 382 KB

english, 2011

6

DFT studies on tautomerism of C5-substituted 1,2,4-triazoles

Wojciech P. Ozimiński, Jan Cz. Dobrowolski, Aleksander P. Mazurek

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2004

Langue:

english

Fichier:

PDF, 329 KB

english, 2004

7

Computational note on steric interactions within COOH moiety from the Natural Steric Analysis point of view

Wojciech P. Oziminski

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2009

Langue:

english

Fichier:

PDF, 132 KB

english, 2009

8

DFT studies on tautomerism of C5-substituted 1,2,3-triazoles

Wojciech P. Ozimiński, Jan Cz. Dobrowolski, Aleksander P. Mazurek

Journal:

Journal of Molecular Structure

Année:

2003

Langue:

english

Fichier:

PDF, 133 KB

english, 2003

9

Time-dependent density functional theory study of first excited singlet states of phenyl-5C-tetrazole derivatives

Nina Sadlej-Sosnowska, Wojciech P Ozimiński, Adam Krówczyński

Journal:

Chemical Physics

Année:

2003

Langue:

english

Fichier:

PDF, 226 KB

english, 2003

10

σ- and π-electron contributions to the substituent effect: natural population analysis

Wojciech P. Ozimiński, Jan C. Dobrowolski

Journal:

Journal of Physical Organic Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 321 KB

english, 2009

11

Natural bond orbital (NBO) analysis of the angular group induced bond alternation (AGIBA) substituent effect

Wojciech P. Oziminski, Tadeusz M. Krygowski

Journal:

Journal of Physical Organic Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 340 KB

english, 2010

12

Natural bond orbital approach to the transmission of substituent effect through the fulvene and benzene ring systems

Wojciech P. Oziminski, Tadeusz M. Krygowski

Journal:

Journal of Molecular Modeling

Année:

2011

Langue:

english

Fichier:

PDF, 563 KB

english, 2011

13

Sigma- and pi- electron structure of aza-azoles

Tadeusz M. Krygowski, Wojciech P. Oziminski, Christopher A. Ramsden

Journal:

Journal of Molecular Modeling

Année:

2011

Langue:

english

Fichier:

PDF, 374 KB

english, 2011

14

Aromatic character of heptafulvene and its complexes with halogen atoms

Tadeusz M. Krygowski, Wojciech P. Oziminski, Michał K. Cyrański

Journal:

Journal of Molecular Modeling

Année:

2012

Langue:

english

Fichier:

PDF, 398 KB

english, 2012

15

Aromaticity of pentafulvene’s complexes with alkaline metal atoms

Wojciech P. Oziminski, Tadeusz M. Krygowski, Siamak Noorizadeh

Journal:

Structural Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 431 KB

english, 2012

16

Aromaticity of substituted fulvene derivatives: substituent-dependent ring currents

Krygowski, Tadeusz M., Oziminski, Wojciech P., Palusiak, Marcin, Fowler, Patrick W., McKenzie, Andrew D.

Journal:

Physical Chemistry Chemical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 674 KB

english, 2010

17

Substituent effects in 1,4-disubstituted benzene and cyclohexadiene: Olefinic vs aromatic electron shift pathway of the substituent effect

Tadeusz M. Krygowski, Michał A. Dobrowolski, Michał K. Cyrański, Wojciech P. Oziminski, Patrick Bultinck

Journal:

Computational and Theoretical Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 526 KB

english, 2012

18

Tautomeric equilibria and aromaticity of phosphodiazoles: An ab initio study

Wojciech P. Oziminski

Journal:

Computational and Theoretical Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 1.57 MB

english, 2012

19

Structural motifs, thermodynamic properties, bonding and aromaticity of sandwich complexes formed by alkaline earth metals with pentafulvene. A theoretical approach

Wojciech P. Oziminski

Journal:

Journal of Organometallic Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 342 KB

english, 2012

20

Aromaticity of heptafulvene charge transfer complexes with lithium and caesium atoms: A computational approach

Wojciech P. Oziminski, Tadeusz M. Krygowski

Journal:

Computational and Theoretical Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 584 KB

english, 2012

21

Theoretical study on the solvent influence on 1,2,3-triazole tautomeric equilibrium. A comparison of incremental microsolvation and continuum solvation model approaches

Oziminski, Wojciech P.

Journal:

Année:

2013

Langue:

english

Fichier:

PDF, 1.17 MB

english, 2013

22

Comparative studies on CH⋯F − hydrogen bond formation in benzene and exocyclically substituted pentafulvene derivatives

Oziminski, Wojciech P., Krygowski, Tadeusz M.

Journal:

Journal of Physical Organic Chemistry

Année:

2013

Langue:

english

Fichier:

PDF, 876 KB

english, 2013

23

Selectivity of bis-triazinyl bipyridine ligands for americium(iii) in Am/Eu separation by solvent extraction. Part 1. Quantum mechanical study on the structures of BTBP complexes and on the energy of the separation

Narbutt, Jerzy, Oziminski, Wojciech P.

Journal:

Dalton Transactions

Année:

2012

Langue:

english

Fichier:

PDF, 294 KB

english, 2012

24

The quest for a better system for evaluating pi-electron substituent constant: a comparison of benzoic, acrylic and tria-, penta-, heptafulvene-based carboxylic acids. A computational study

Oziminski, Wojciech P.

Journal:

Journal of Physical Organic Chemistry

Année:

2013

Langue:

english

Fichier:

PDF, 598 KB

english, 2013

25

Stability and aromaticity of tautomers and kinetics of proton transfer in 6-methylpentafulvene and itsexo-substituted derivatives: a computational study

Wojciech P. Oziminski

Journal:

Structural Chemistry

Année:

2013

Langue:

english

Fichier:

PDF, 685 KB

english, 2013

26

Biological activity of Pd(II) complexes with mono- and disubstituted pyridines—Experimental and theoretical studies

Krogul, Agnieszka, Cedrowski, Jakub, Wiktorska, Katarzyna, Oziminski, Wojciech P., Skupińska, Jadwiga, Litwinienko, Grzegorz

Journal:

Bioorganic & Medicinal Chemistry Letters

Année:

2013

Langue:

english

Fichier:

PDF, 523 KB

english, 2013

27

A DFT study of isomeric conjugated, cross-conjugated and semi-conjugated six-membered heterocyclic mesomeric betaines

Ramsden, Christopher A., Oziminski, Wojciech P.

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 608 KB

english, 2014

28

Substituent effects in 1-nitro-4-substituted bicyclo[2.2.2]octane derivatives: inductive or field effects?

Tadeusz M. Krygowski,Wojciech P. Oziminski

Journal:

Journal of Molecular Modeling

Année:

2014

Langue:

english

Fichier:

PDF, 849 KB

english, 2014

29

A DFT and ab initio study of conjugated and semi-conjugated mesoionic rings and their covalent isomers

Oziminski, Wojciech P., Ramsden, Christopher A.

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 1.64 MB

english, 2015

30

The relative stability of mesoionic and N-heterocyclic carbene tautomers: a computational study of substituent effects

Ramsden, Christopher A., Oziminski, Wojciech P.

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 620 KB

english, 2015

31

Influence of pH and type of counterion on the formation of bismuth(III) complexes with tropolonato and 5-methyltropolonato ligands: Synthesis, structure, spectroscopic characterization and calculation studies

Lyczko, Krzysztof, Lyczko, Monika, Wozniak, Krzysztof, Stachowicz, Marcin, Oziminski, Wojciech P., Kubo, Kanji

Journal:

Inorganica Chimica Acta

Année:

2015

Langue:

english

Fichier:

PDF, 1.92 MB

english, 2015

32

Aromaticity induced by electric field – the case of polycalicenes

Dominikowska, Justyna, Krygowski, Tadeusz Marek, Oziminski, Wojciech Piotr, Palusiak, Marcin

Journal:

Journal of Organic Chemistry

Année:

2015

Langue:

english

Fichier:

PDF, 1.22 MB

english, 2015

33

Factors Influencing Aromaticity: PCA Studies of Monosubstituted Derivatives of Pentafulvene, Benzene and Heptafulvene

Cysewski, Piotr, Jelinski, Tomasz, Krygowski, Tadeusz, Oziminski, Wojciech

Journal:

Current Organic Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 1.71 MB

english, 2012

34

Quantitative Index of the Relative Ease of Formation and σ-Bonding Strength of N-Heterocyclic Carbenes

Ramsden, Christopher A., Oziminski, Wojciech P.

Journal:

Journal of Organic Chemistry

Année:

2016

Langue:

english

Fichier:

PDF, 1.42 MB

english, 2016

35

The kinetics of water-assisted tautomeric 1,2-proton transfer in azoles: a computational approach

Wojciech P. Oziminski

Journal:

Structural Chemistry

Année:

2016

Langue:

english

Fichier:

PDF, 1.13 MB

english, 2016

36

A Quantitative Analysis of Factors Influencing Ease of Formation and σ-Bonding Strength of Oxa- and Thia-N-Heterocyclic Carbenes

Ramsden, Christopher A., Oziminski, Wojciech Piotr

Journal:

Journal of Organic Chemistry

Année:

2017

Langue:

english

Fichier:

PDF, 548 KB

english, 2017

37

The influence of substituent field and resonance effects on the ease of N-heterocyclic carbene formation from imidazolium rings

Oziminski, Wojciech P., Ramsden, Christopher A.

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 325 KB

english, 2018

38

New theoretical insights on tautomerism of hyperforin—a prenylated phloroglucinol derivative which may be responsible for St. John’s wort (Hypericum perforatum) antidepressant activity

Oziminski, Wojciech P., Wójtowicz, Agata

Journal:

Structural Chemistry

Année:

2019

Fichier:

PDF, 989 KB

2019