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1

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || From the Hohenberg-Kohn Theory to the Kohn-Sham Equations

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 216 KB

english, 2013

2

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || Kinetic Energy and Fisher Information

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 197 KB

english, 2013

3

Application of the density functional theory derived orbital-free embedding potential to calculate the splitting energies of lanthanide cations in chloroelpasolite crystals

Mohamed Zbiri, Mihail Atanasov, Claude Daul, Juan Maria Garcia-Lastra, Tomasz A. Wesolowski

Journal:

Chemical Physics Letters

Year:

2004

Language:

english

File:

PDF, 338 KB

english, 2004

4

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || Accurate Computation of the Non-Interacting Kinetic Energy from Electron Densities

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 388 KB

english, 2013

5

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || Towards the Description of Covalent Bonds in Subsystem Density-Functional Theory

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 425 KB

english, 2013

6

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || Non-Additive Kinetic Energy and Potential in Analytically Solvable Systems and Their Approximated Counterparts

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 446 KB

english, 2013

7

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || An Orbital Free ab initio Method: Applications to Liquid Metals and Clusters

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 7.35 MB

english, 2013

8

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || Semilocal Approximations for the Kinetic Energy

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 231 KB

english, 2013

9

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || The Single-Particle Kinetic Energy of Many-Fermion Systems: Transcending the Thomas-Fermi plus Von Weizsäcker Method

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 307 KB

english, 2013

10

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || Quantum Fluctuations, Dequantization, Information Theory and Kinetic-Energy Functionals

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 453 KB

english, 2013

11

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || Orbital-Free Embedding Calculations of Electronic Spectra

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 447 KB

english, 2013

12

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || Shell-Correction and Orbital-Free Density-Functional Methods for Finite Systems

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 859 KB

english, 2013

13

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || On the Principal Difference Between the Exact and Approximate Frozen-Density Embedding Theory

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 198 KB

english, 2013

14

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || Properties of Hot and Dense Matter by Orbital-Free Molecular Dynamics

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 455 KB

english, 2013

15

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || Electronic Structure Calculations at Macroscopic Scales using Orbital-Free DFT

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 815 KB

english, 2013

16

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || Analytic Approach and Monte Carlo Sampling for Electron Correlations

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 268 KB

english, 2013

17

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || Finite Element Approximations in Orbital-Free Density Functional Theory

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 402 KB

english, 2013

18

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

19

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

20

Do male Nuthatches (Sitta europaea) guard their mates?

Kai Pagenkopf, Tomasz Wesołowski

Journal:

Journal für Ornithologie / Journal of Ornithology

Year:

2002

Language:

english

File:

PDF, 73 KB

english, 2002

21

Orbital-free effective embedding potential: Density-matrix functional theory case

Katarzyna Pernal, Tomasz A. Wesolowski

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 104 KB

english, 2009

22

Time-saving mechanisms in the reproduction of Marsh Tits (Parus palustris)

Tomasz Wesołowski

Journal:

Journal of Ornithology

Year:

2000

Language:

english

File:

PDF, 671 KB

english, 2000

23

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

24

The Breeding Ecology of the Wood Warbler Phylloscopus sibilatrix in Primaeval Forest

Tomasz Wesolowski

Journal:

Ornis Scandinavica

Year:

1985

Language:

english

File:

PDF, 1.58 MB

english, 1985

25

Importance of the Intermolecular Pauli Repulsion in Embedding Calculations for Molecular Properties: The Case of Excitation Energies for a Chromophore in Hydrogen-Bonded Environments

Fradelos, Georgios, Wesołowski, Tomasz A.

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 3.30 MB

english, 2011

26

A Multi-Isotope ( δ 2 H, δ 13 C, δ 15 N) Approach to Establishing Migratory Connectivity in Palearctic-Afrotropical Migrants: An Example using Wood Warblers Phylloscopus sibilatrix

Hobson, Keith A., Wilgenburg, Steven L. Van, Wesołowski, Tomasz, Maziarz, Marta, Bijlsma, Rob G., Grendelmeier, Alex, Mallord, John W.

Journal:

Acta Ornithologica

Year:

2014

Language:

english

File:

PDF, 414 KB

english, 2014

27

Changes in Breeding Phenology and Performance of Wood Warblers Phylloscopus sibilatrix in a Primeval Forest: A Thirty-Year Perspective

Wesołowski, Tomasz, Maziarz, Marta

Journal:

Acta Ornithologica

Year:

2009

Language:

english

File:

PDF, 164 KB

english, 2009

28

The energy-differences based exact criterion for testing approximations to the functional for the kinetic energy of non-interacting electrons

Bernard, Yves A, Dułak, Marcin, Kamiński, Jakub W, Wesołowski, Tomasz A

Journal:

Journal of Physics A Mathematical and Theoretical

Year:

2008

Language:

english

File:

PDF, 280 KB

english, 2008

29

On the Origin of Parental Care and the Early Evolution of Male and Female Parental Roles in Birds

Tomasz Wesolowski

Journal:

American Naturalist

Year:

1994

Language:

english

File:

PDF, 1.82 MB

english, 1994

30

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || FRONT MATTER

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 159 KB

english, 2013

31

[Recent Advances in Computational Chemistry] Recent Progress in Orbital-free Density Functional Theory Volume 6 || BACK MATTER

Wesolowski, Tomasz A, Wang, Yan Alexander

Year:

2013

Language:

english

File:

PDF, 123 KB

english, 2013

32

Wood Warbler Phylloscopus sibilatrix : a nomadic insectivore in search of safe breeding grounds?

Wesołowski, Tomasz, Rowiński, Patryk, Maziarz, Marta

Journal:

Year:

2009

Language:

english

File:

PDF, 2.25 MB

english, 2009

33

Timing of breeding and nestling diet of Wood Warbler Phylloscopus sibilatrix in relation to changing food supply

Maziarz, Marta, Wesołowski, Tomasz

Journal:

Year:

2010

Language:

english

File:

PDF, 550 KB

english, 2010

34

Development of Novel Computational Strategies to Match the Challenges of Supramolecular Chemistry, Biochemistry, and Materials Science

Wesolowski, Tomasz A.

Journal:

CHIMIA International Journal for Chemistry

Year:

2002

Language:

english

File:

PDF, 110 KB

english, 2002

35

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

36

On the Origin of Parental Care and the Early Evolution of Male and Female Parental Roles in Birds

Wesolowski, Tomasz

Journal:

American Naturalist

Year:

1994

Language:

english

File:

PDF, 1.75 MB

english, 1994

37

Patterns of predator behaviour and Wood Warbler Phylloscopus sibilatrix nest survival in a primeval forest

Maziarz, Marta, Grendelmeier, Alex, Wesołowski, Tomasz, Arlettaz, Raphaёl, Broughton, Richard K., Pasinelli, Gilberto

Journal:

Year:

2018

Language:

english

File:

PDF, 590 KB

english, 2018

38

The deconvolution analysis of ATR-FTIR spectra of diacetylene during UV exposure

Ortuso, Roberto D., Ricardi, Niccolò, Bürgi, Thomas, Wesolowski, Tomasz A., Sugihara, Kaori

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2019

Language:

english

File:

PDF, 2.00 MB

english, 2019

39

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

40

Constraining the electron densities in DFT method as an effective way for ab initio studies of metal-catalyzed reactions

Gongyi Hong, Marek Strajbl, Tomasz A. Wesolowski, Arieh Warshel

Journal:

Journal of Computational Chemistry

Year:

2000

Language:

english

File:

PDF, 377 KB

english, 2000

41

Theoretical Study of the Benzene Dimer by the Density-Functional-Theory Formalism Based on Electron-Density Partitioning

Fabien Tran, Jacques Weber, Tomasz A. Wesołowski

Journal:

Helvetica Chimica Acta

Year:

2001

Language:

english

File:

PDF, 126 KB

english, 2001

42

A Highly Configurationally Stable [4]Heterohelicenium Cation

Christelle Herse, Delphine Bas, Frederik C. Krebs, Thomas Bürgi, Jacques Weber, Tomasz Wesolowski, Bo W. Laursen, Jérôme Lacour

Journal:

Angewandte Chemie

Year:

2003

Language:

english

File:

PDF, 154 KB

english, 2003

43

A Highly Configurationally Stable [4]Heterohelicenium Cation

Christelle Herse, Delphine Bas, Frederik C. Krebs, Thomas Bürgi, Jacques Weber, Tomasz Wesolowski, Bo W. Laursen, Jérôme Lacour

Journal:

Angewandte Chemie International Edition

Year:

2003

Language:

english

File:

PDF, 155 KB

english, 2003

44

Comparative Infrared, Raman, and Natural-Bond-Orbital Analyses of King's Sultam

Hans Hagemann, Marcin Dulak, Tomasz A. Wesolowski, Christian Chapuis, Janusz Jurczak

Journal:

Helvetica Chimica Acta

Year:

2004

Language:

english

File:

PDF, 529 KB

english, 2004

45

Animation: a useful tool for protein molecular dynamicists, applied to hydrogen bonds in the active site of elastase

Stanley M. Swanson, Tomasz Wesolowski, Maciej Geller, Edgar F. Meyer

Journal:

Journal of Molecular Graphics

Year:

1989

Language:

english

File:

PDF, 404 KB

english, 1989

46

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

47

Water trapped in dibenzo-18-crown-6: Theoretical and spectroscopic (IR, Raman) studies

Marcin Dułak, Rémi Bergougnant, Katharina M. Fromm, Hans R. Hagemann, Adeline Y. Robin, Tomasz A. Wesołowski

Journal:

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy

Year:

2006

Language:

english

File:

PDF, 1.11 MB

english, 2006

48

Introduction of the explicit long-range nonlocality as an alternative to the gradient expansion approximation for the kinetic-energy functional

Fabien Tran, Tomasz A. Wesołowski

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 308 KB

english, 2002

49

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

50

Host–parasite interactions in natural holes: marsh tits (Parus palustris) and blow flies (Protocalliphora falcozi)

Tomasz Wesołowski

Journal:

Journal of Zoology

Year:

2001

Language:

english

File:

PDF, 115 KB

english, 2001

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