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1

Mechanism of Nitrate Reduction by Desulfovibrio desulfuricans Nitrate Reductase—A Theoretical Investigation

Monica Leopoldini, Nino Russo, Marirosa Toscano, Marcin Dulak, Tomasz Adam Wesolowski

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 290 KB

english, 2006

2

Kohn-Sham equations with constrained electron density: an iterative evaluation of the ground-state electron density of interacting molecules

Tomasz Adam Wesolowski, Jacques Weber

Journal:

Chemical Physics Letters

Year:

1996

Language:

english

File:

PDF, 397 KB

english, 1996

3

Frozen density functional approach for ab initio calculations of solvated molecules

Wesolowski, Tomasz Adam, Warshel, Arieh

Journal:

Journal of Physical Chemistry

Year:

1993

Language:

english

File:

PDF, 445 KB

english, 1993

4

Fluorescence quantum yield rationalized by the magnitude of the charge transfer in π-conjugated terpyridine derivatives

Humbert-Droz, Marie, Piguet, Claude, Wesolowski, Tomasz Adam

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 3.59 MB

english, 2016

5

Kohn-Sham equations with constrained electron density: The effect of various kinetic energy functional parametrizations on the ground-state molecular properties

Tomasz Adam Wesolowski, Jacques Weber

Journal:

International Journal of Quantum Chemistry

Year:

1997

Language:

english

File:

PDF, 218 KB

english, 1997

6

On the interactions of charged side chains with the α-helix backbone

Adam Godzik, Tomasz Wesolowski

Journal:

Biophysical Chemistry

Year:

1988

Language:

english

File:

PDF, 419 KB

english, 1988

7

Application of the DFT-based embedding scheme using an explicit functional of the kinetic energy to determine the spin density of Mg+ embedded in Ne and Ar matrices

Tomasz Adam Wesołowski

Journal:

Chemical Physics Letters

Year:

1999

Language:

english

File:

PDF, 79 KB

english, 1999

8

Study of the physisorption of CO on the MgO(100) surface using the approach of Kohn-Sham equations with constrained electron density

Tomasz Adam Wesołowski, Nathalie Vulliermet, Jacques Weber

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1998

Language:

english

File:

PDF, 152 KB

english, 1998

9

Density functional theory with approximate kinetic energy functionals applied to hydrogen bonds

Wesolowski, Tomasz Adam

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 545 KB

english, 1997

10

Anion-π and Cation-π Interactions on the Same Surface

Fujisawa, Kaori, Beuchat, César, Humbert-Droz, Marie, Wilson, Adam, Wesolowski, Tomasz A., Mareda, Jiri, Sakai, Naomi, Matile, Stefan

Journal:

Angewandte Chemie International Edition

Year:

2014

Language:

english

File:

PDF, 2.16 MB

english, 2014

11

Accuracy of approximate kinetic energy functionals in the model of Kohn–Sham equations with constrained electron density: The FH⋅⋅⋅NCH complex as a test case

Wesolowski, Tomasz Adam, Chermette, Henry, Weber, Jacques

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 421 KB

english, 1996

12

Anion-π and Cation-π Interactions on the Same Surface

Fujisawa, Kaori, Beuchat, César, Humbert-Droz, Marie, Wilson, Adam, Wesolowski, Tomasz A., Mareda, Jiri, Sakai, Naomi, Matile, Stefan

Journal:

Angewandte Chemie

Year:

2014

Language:

english

File:

PDF, 2.02 MB

english, 2014

13

Quantum-mechanical calculations of solvation free energies. A combined ab initio pseudopotential free-energy perturbation approach

Vaidehi, Nagarajan, Wesolowski, Tomasz Adam, Warshel, Arieh

Journal:

The Journal of Chemical Physics

Year:

1992

Language:

english

File:

PDF, 842 KB

english, 1992

14

Nonadditive kinetic potentials from inverted Kohn-Sham problem

Banafsheh, Mojdeh, Adam Wesolowski, Tomasz

Journal:

International Journal of Quantum Chemistry

Year:

2017

Language:

english

File:

PDF, 1.42 MB

english, 2017

15

ERRATUM: Nonadditive kinetic potentials from inverted Kohn-Sham problem

Banafsheh, Mojdeh, Wesolowski, Tomasz Adam

Journal:

International Journal of Quantum Chemistry

Year:

2018

File:

PDF, 187 KB

2018

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