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1

Electronegativity through the energy function

Ludwik Komorowski

Journal:

Chemical Physics Letters

Year:

1983

Language:

english

File:

PDF, 387 KB

english, 1983

2

Acidic and basic molecular hardness in LCAO approximation

Robert Balawender, Ludwik Komorowski, Szczepan Roszak

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 136 KB

english, 1997

3

Variation of the electronic dipole polarizability on the reaction path

Mateusz Jędrzejewski, Piotr Ordon, Ludwik Komorowski

Journal:

Journal of Molecular Modeling

Year:

2013

Language:

english

File:

PDF, 185 KB

english, 2013

4

Polarization of Molecular ions in NaTCNQ and TTF. TCNQ Crtstals

Komorowski, Ludwik, Lipinski, JÓZef

Journal:

Molecular Crystals and Liquid Crystals

Year:

1985

Language:

english

File:

PDF, 181 KB

english, 1985

5

Conceptual DFT analysis of the fragility spectra of atoms along the minimum energy reaction coordinate

Ordon, Piotr, Komorowski, Ludwik, Jedrzejewski, Mateusz

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 3.67 MB

english, 2017

6

Nuclear reactivity and nuclear stiffness in density functional theory

Piotr Ordon, Ludwik Komorowski

Journal:

Chemical Physics Letters

Year:

1998

Language:

english

File:

PDF, 78 KB

english, 1998

7

Electronegativity and hardness of chemical groups

Komorowski, Ludwik, Lipinski, Jozef, Pyka, Maciej J.

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 538 KB

english, 1993

8

Polarization justified Fukui functions

Komorowski, Ludwik, Lipiński, Józef, Szarek, Paweł

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 741 KB

english, 2009

9

The solvent effect on the electronegativity and hardness of bonded atoms

Józef Lipiński, Ludwik Komorowski

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 343 KB

english, 1996

10

Fukui functions for atoms and ions: Polarizability justified approach

Paweł Szarek, Ludwik Komorowski, Józef Lipiński

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 124 KB

english, 2010

11

Atomic Resolution for the Energy Derivatives on the Reaction Path

Jędrzejewski, Mateusz, Ordon, Piotr, Komorowski, Ludwik

Journal:

Journal of Physical Chemistry A

Year:

2016

Language:

english

File:

PDF, 1.78 MB

english, 2016

12

Reactivity Patterns of Imidazole, Oxazole, and Thiazole As Reflected by the Polarization Justified Fukui Functions

Beker, Wiktor, Szarek, Paweł, Komorowski, Ludwik, Lipiński, Józef

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 4.52 MB

english, 2013

13

Polarization justified Fukui functions: The theory and applications for molecules

Komorowski, Ludwik, Lipiński, Józef, Szarek, Paweł, Ordon, Piotr

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 787 KB

english, 2011

14

Atomic polarization justified Fukui indices and the affinity indicators in aromatic heterocycles and nucleobases

Beker, Wiktor, Stachowicz-Kuśnierz, Anna, Zaklika, Jarosław, Ziobro, Aleksandra, Ordon, Piotr, Komorowski, Ludwik

Journal:

Computational and Theoretical Chemistry

Year:

2015

Language:

english

File:

PDF, 1005 KB

english, 2015

15

Fluctuations in electronegativity and global hardness induced by molecular vibrations

Ludwik Komorowski, Piotr Ordon

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2003

Language:

english

File:

PDF, 120 KB

english, 2003

16

DFT energy derivatives and their renormalization in molecular vibrations

Piotr Ordon, Ludwik Komorowski

Journal:

International Journal of Quantum Chemistry

Year:

2005

Language:

english

File:

PDF, 153 KB

english, 2005

17

Modeling the electron density kernels

Paweł Szarek, Ludwik Komorowski

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 280 KB

english, 2011

18

Anharmonicity of a molecular oscillator

Ludwik Komorowski, Piotr Ordon

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 119 KB

english, 2004

19

The reaction fragility spectrum

Komorowski, Ludwik, Ordon, Piotr, Jędrzejewski, Mateusz

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.70 MB

english, 2016

20

Near-infrared-induced proton transfer studied by electron spin resonance

Małgorzata Komorowska, Jacek Lamperski, Ludwik Komorowski

Journal:

Chemical Physics

Year:

1999

Language:

english

File:

PDF, 180 KB

english, 1999

21

The Amino Group in Adenine: MP2 and CCSD(T) Complete Basis Set Limit Calculations of the Planarization Barrier and DFT/B3LYP Study of the Anharmonic Frequencies of Adenine

Zierkiewicz, Wiktor, Komorowski, Ludwik, Michalska, Danuta, Cerny, Jiri, Hobza, Pavel

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 94 KB

english, 2008

22

Association equlibria in acetonitrile solution of tetracyanoquinodimethanides

Grzegorz Małachowicz, Ludwik Komorowski

Journal:

Chemical Physics Letters

Year:

1982

Language:

english

File:

PDF, 289 KB

english, 1982

23

Bond Softening Indices Studied by the Fragility Spectra for Proton Migration in Formamide and Related Structures

Ordon, Piotr, Zaklika, Jarosław, Jędrzejewski, Mateusz, Komorowski, Ludwik

Journal:

Journal of Physical Chemistry A

Year:

2019

File:

PDF, 1.86 MB

2019

24

Quantumchemical electronegativity and hardness indices for bonded atoms

Ludwik Komorowski, Józef Lipiński

Journal:

Chemical Physics

Year:

1991

Language:

english

File:

PDF, 1.27 MB

english, 1991

25

Evolution of the atomic valence observed by the reaction fragility spectra on the reaction path

Zaklika, Jarosław, Komorowski, Ludwik, Ordon, Piotr

Journal:

Journal of Molecular Modeling

Year:

2019

Language:

english

File:

PDF, 1.88 MB

english, 2019

26

Electronegativity and hardness in the chemical approximation

Ludwik Komorowski

Journal:

Chemical Physics

Year:

1987

Language:

english

File:

PDF, 1.42 MB

english, 1987

27

Atomic Fukui function indices and local softness ab initio

Balawender, Robert, Komorowski, Ludwik

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 407 KB

english, 1998

28

Empirical evaluation of chemical hardness

Ludwik Komorowski

Journal:

Chemical Physics Letters

Year:

1987

Language:

english

File:

PDF, 395 KB

english, 1987

29

Electronegativity and Hardness of Disjoint and Transferable Molecular Fragments

Komorowski, Ludwik, Boyd, Susan L., Boyd, Russell J.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 383 KB

english, 1996

30

Chemical Hardness and L. Pauling’s Scale of Electronegativity

Komorowski, Ludwik

Journal:

Zeitschrift für Naturforschung A

Year:

1987

Language:

english

File:

PDF, 6.22 MB

english, 1987

31

New Boron-Nitrogen Analogues of Uracil Derivatives [1]

Komorowski, Ludwik, Niedenzu, Kurt

Journal:

Zeitschrift für Naturforschung B

Year:

1989

Language:

english

File:

PDF, 5.81 MB

english, 1989

32

Vibrational softening of diatomic molecules

Ludwik Komorowski, Piotr Ordon

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

2001

Language:

english

File:

PDF, 138 KB

english, 2001

33

Derivatives of Molecular Valence as a Measure of Aromaticity

Balawender, Robert, Komorowski, Ludwik, De Proft, Frank, Geerlings, Paul

Journal:

Journal of Physical Chemistry A

Year:

1998

Language:

english

File:

PDF, 63 KB

english, 1998

34

DFT analysis of fluctuations in electronegativity and hardness of a molecular oscillator

Ludwik Komorowski, Piotr Ordon

Journal:

International Journal of Quantum Chemistry

Year:

2003

Language:

english

File:

PDF, 107 KB

english, 2003

35

Fractionally charged ions in crystal lattices of organic ion-radical salts

Ludwik Komorowski

Journal:

Chemical Physics

Year:

1983

Language:

english

File:

PDF, 807 KB

english, 1983

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