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1

Accurate computational thermochemistry from explicitly correlated coupled-cluster theory

Wim Klopper, Rafał A. Bachorz, Christof Hättig, David P. Tew

Journal:

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

Year:

2010

Language:

english

File:

PDF, 374 KB

english, 2010

2

Strong N−H···π Hydrogen Bonding in Amide−Benzene Interactions

Ottiger, Philipp, Pfaffen, Chantal, Leist, Roman, Leutwyler, Samuel, Bachorz, Rafał A., Klopper, Wim

Journal:

Journal of Physical Chemistry B

Year:

2009

Language:

english

File:

PDF, 270 KB

english, 2009

3

Historical blueprints of tourists’ paths from Poland to the former USSR

Bachórz, Agata, Horolets, Anna

Journal:

Journal of Tourism and Cultural Change

Year:

2017

Language:

english

File:

PDF, 1.15 MB

english, 2017

4

Cardiac glycosides with target at direct and indirect interactions with nuclear receptors

KaraÅ, Kaja, SaÅkowska, Anna, Dastych, JarosÅaw, Bachorz, RafaÅ A., Ratajewski, Marcin

Journal:

Biomedicine & Pharmacotherapy

Year:

2020

File:

PDF, 891 KB

2020

5

Nucleobase–Fluorobenzene Interactions: Hydrogen Bonding Wins over π Stacking

Roman Leist, Jann A. Frey, Philipp Ottiger, Hans-Martin Frey, Samuel Leutwyler, Rafał A. Bachorz, Wim Klopper

Journal:

Angewandte Chemie

Year:

2007

Language:

english

File:

PDF, 286 KB

english, 2007

6

Nucleobase–Fluorobenzene Interactions: Hydrogen Bonding Wins over π Stacking

Roman Leist, Jann A. Frey, Philipp Ottiger, Hans-Martin Frey, Samuel Leutwyler, Rafał A. Bachorz, Wim Klopper

Journal:

Angewandte Chemie International Edition

Year:

2007

Language:

english

File:

PDF, 286 KB

english, 2007

7

The MP2-F12 method in the TURBOMOLE program package

Rafał A. Bachorz, Florian A. Bischoff, Andreas Glöß, Christof Hättig, Sebastian Höfener, Wim Klopper, David P. Tew

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 291 KB

english, 2011

8

Mature Accessory Cells Influence Long-Term Growth of Human Hematopoietic Progenitors on a Murine Stromal Cell Feeder Layer

L. Mazini, Dr. E. Wunder, H. Sovalat, D. Bourderont, M. Baerenzung, J. Bachorz, P. Hénon

Journal:

Year:

1998

Language:

english

File:

PDF, 186 KB

english, 1998

9

Electrostatic potential maps of damaged DNA studied by image analysis tools. 8-Oxoguanine and abasic site lesions

Rafał A. Bachorz, Giovanni Lupica, Maciej Gutowski, Maciej Haranczyk

Journal:

Journal of Molecular Modeling

Year:

2009

Language:

english

File:

PDF, 461 KB

english, 2009

10

Isolation and identification of two CD34+ cell subpopulations from normal human peripheral blood

Georges Herbein, Philippe Hénon, Hanna Sovalat, Eckart Wunder, Michèle Baerenzung, Jeanne Bachorz, Huguette Lewandowski, Christine Schweitzer, Georges Herbein, Carine Schmitt, André Kirn

Journal:

Year:

1994

Language:

english

File:

PDF, 840 KB

english, 1994

11

Scope and limitations of the SCS-MP2 method for stacking and hydrogen bonding interactions

Bachorz, Rafał A., Bischoff, Florian A., Höfener, Sebastian, Klopper, Wim, Ottiger, Philipp, Leist, Roman, Frey, Jann A., Leutwyler, Samuel

Journal:

Physical Chemistry Chemical Physics

Year:

2008

Language:

english

File:

PDF, 982 KB

english, 2008

12

Large-amplitude vibrations of an N–H⋯π hydrogen bonded cis-amide–benzene complex

Pfaffen, Chantal, Frey, Hans-Martin, Ottiger, Philipp, Leutwyler, Samuel, Bachorz, Rafał A., Klopper, Wim

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 1.74 MB

english, 2010

13

Anion of the formic acid dimer as a model for intermolecular proton transfer induced by a π[sup

Bachorz, Rafał A., Harańczyk, Maciej, Dąbkowska, Iwona, Rak, Janusz, Gutowski, Maciej

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 326 KB

english, 2005

14

: A density-functional theory study

Jaffe, John E., Bachorz, Rafał A., Gutowski, Maciej

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 580 KB

english, 2005

15

Ground and excited state hydrogen bonding effects of 6-aminocoumarin in water: An ab initio study

Krystkowiak, Ewa, Bachorz, Rafał A., Koput, Jacek

Journal:

Dyes and Pigments

Year:

2015

Language:

english

File:

PDF, 520 KB

english, 2015

16

Accurate Coupled Cluster Calculations of the Reaction Barrier Heights of Two CH 3• + CH 4 Reactions †

Klopper, Wim, Bachorz, Rafał A., Tew, David P., Aguilera-Iparraguirre, Jorge, Carissan, Yannick, Hättig, Christof

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 832 KB

english, 2009

17

On the Unusual Stability of Valence Anions of Thymine Based on Very Rare Tautomers: A Computational Study

Mazurkiewicz, Kamil, Bachorz, Rafał A., Gutowski, Maciej, Rak, Janusz

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 402 KB

english, 2006

18

Excess Electron Attachment Induces Barrier-Free Proton Transfer in Binary Complexes of Uracil with H 2 Se and H 2 S but Not with H 2 O

Harańczyk, Maciej, Bachorz, Rafał, Rak, Janusz, Gutowski, Maciej, Radisic, Dunja, Stokes, Sarah T., Nilles, J. Michael, Bowen, Kit H.

Journal:

Journal of Physical Chemistry B

Year:

2003

Language:

english

File:

PDF, 230 KB

english, 2003

19

Stabilization of very rare tautomers of uracil by an excess electron

Bachorz, Rafał A., Rak, Janusz, Gutowski, Maciej

Journal:

Physical Chemistry Chemical Physics

Year:

2005

Language:

english

File:

PDF, 817 KB

english, 2005

20

Sub-meV accuracy in first-principles computations of the ionization potentials and electron affinities of the atoms H to Ne

Klopper, Wim, Bachorz, Rafał A., Tew, David P., Hättig, Christof

Journal:

Physical Review A

Year:

2010

Language:

english

File:

PDF, 123 KB

english, 2010

21

Electron-Driven Acid-Base Chemistry: Proton Transfer from Hydrogen Chloride to Ammonia

Eustis, S. N., Radisic, D., Bowen, K. H., Bachorz, R. A., Haranczyk, M., Schenter, G. K., Gutowski, M.

Journal:

Year:

2008

Language:

english

File:

PDF, 357 KB

english, 2008

22

(0001) interface

Jaffe, John E., Bachorz, Rafał A., Gutowski, Maciej

Journal:

Physical Review B

Year:

2007

Language:

english

File:

PDF, 200 KB

english, 2007

23

Photoelectron spectroscopy of adiabatically bound valence anions of rare tautomers of the nucleic acid bases

Li, Xiang, Bowen, Kit H., Haranczyk, Maciej, Bachorz, Rafał A., Mazurkiewicz, Kamil, Rak, Janusz, Gutowski, Maciej

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 403 KB

english, 2007

24

Human Accessory Cells Have a Humoral Bystander Effect on CAFC Growing on Murine Feeder

Mazini, L., Wunder, E., Sovalat, H., Jung, G., Bourderont, D., Bachorz, J., Bearenzung, M., Zanetti, C., Hénon, P.

Journal:

Journal of Hematotherapy & Stem Cell Research

Year:

2000

Language:

english

File:

PDF, 185 KB

english, 2000

25

Rehabilitation Robot Prototypes Developed by the ITAM Zabrze

Michnik, Andrzej, Brandt, Jacek, Szczurek, Zbyszek, Bachorz, MichaŁ, Paszenda, Zbigniew, Michnik, Robert, Jurkojć, Jacek, Rycerski, Wiesław, Janota, Jan

Journal:

Archive of Mechanical Engineering

Year:

2014

Language:

english

File:

PDF, 566 KB

english, 2014

26

Quality Planning of Parts Machine Production Based on Housing of Cylinder Head Milling Machines

Misztal, Agnieszka, Bachorz, Sebastian

Journal:

Applied Mechanics and Materials

Year:

2014

Language:

english

File:

PDF, 232 KB

english, 2014

27

Coupled-cluster and explicitly correlated perturbation-theory calculations of the uracil anion

Bachorz, Rafał A., Klopper, Wim, Gutowski, Maciej

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 270 KB

english, 2007

28

Photoelectron spectrum of valence anions of uracil and first-principles calculations of excess electron binding energies

Bachorz, Rafał A., Klopper, Wim, Gutowski, Maciej, Li, Xiang, Bowen, Kit H.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 484 KB

english, 2008

29

Rovibrational energy levels of H[sub 3][sup +] with energies above the barrier to linearity

Bachorz, Rafał A., Cencek, Wojciech, Jaquet, Ralph, Komasa, Jacek

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 309 KB

english, 2009

30

Hydrogen-bonded 4H-1-benzopyrane-4-thione–water complexes properties in the S 2 excited state: the mechanism and dynamics of deactivation

Krystkowiak, E., Bachorz, R. A., Maciejewski, A.

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 2.66 MB

english, 2015

31

Antenne « fiabilité cokerie »

Journal:

Revue de Métallurgie

Year:

1998

Language:

french

File:

PDF, 14.12 MB

french, 1998

32

The cardenolides strophanthidin, digoxigenin and dihydroouabain act as activators of the human RORγ/RORγT receptors

Karaś, Kaja, Sałkowska, Anna, Walczak-Drzewiecka, Aurelia, Ryba, Katarzyna, Dastych, Jarosław, Bachorz, Rafał A., Ratajewski, Marcin

Journal:

Toxicology Letters

Year:

2018

Language:

english

File:

PDF, 2.07 MB

english, 2018

33

The Rising of Phoenix, and What it Means for Higher Education

Cronin, Joseph M., Bachorz, Patricia M.

Journal:

Journal of Education

Year:

2006

Language:

english

File:

PDF, 101 KB

english, 2006

34

Postpartum depression – a medical or a social problem?

Wszołek, Katarzyna, Żurawska, Joanna, Łuczak-Wawrzyniak, Jadwiga, Kopaszewska-Bachorz, Beata, Głowińska, Aleksandra, Pięta, Beata

Journal:

Journal of Maternal-Fetal and Neonatal Medicine

Year:

2018

Language:

english

File:

PDF, 415 KB

english, 2018

35

The Dichotomous Nature of AZ5104 (an EGFR Inhibitor) Towards RORγ and RORγT

Karaś, Kaja, Sałkowska, Anna, Karwaciak, Iwona, Walczak-Drzewiecka, Aurelia, Dastych, Jarosław, Bachorz, Rafał A., Ratajewski, Marcin

Journal:

International Journal of Molecular Sciences

Year:

2019

Language:

english

File:

PDF, 5.56 MB

english, 2019

36

O-Vanillin Attenuates the TLR2 Mediated Tumor-Promoting Phenotype of Microglia

Triller, Paul, Bachorz, Julia, Synowitz, Michael, Kettenmann, Helmut, Markovic, Darko

Journal:

International Journal of Molecular Sciences

Year:

2020

File:

PDF, 2.01 MB

2020