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1

Capturing chemical intuition in synthesis of metal-organic frameworks

Moosavi, Seyed Mohamad, Chidambaram, Arunraj, Talirz, Leopold, Haranczyk, Maciej, Stylianou, Kyriakos C., Smit, Berend

Journal:

Nature Communications

Year:

2019

Language:

english

File:

PDF, 4.07 MB

english, 2019

2

What Are the Best Materials To Separate a Xenon/Krypton Mixture?

Simon, Cory M., Mercado, Rocio, Schnell, Sondre K., Smit, Berend, Haranczyk, Maciej

Journal:

Chemistry of Materials

Year:

2015

Language:

english

File:

PDF, 4.91 MB

english, 2015

3

pyIAST: Ideal adsorbed solution theory (IAST) Python package

Simon, Cory M., Smit, Berend, Haranczyk, Maciej

Journal:

Computer Physics Communications

Year:

2015

Language:

english

File:

PDF, 2.70 MB

english, 2015

4

Zinc, nickel and lead in copper deposited from copper(II) ammine sulphate electrolytes

J. Sedzimir, W. Gumowska, I. Harańczyk

Journal:

Hydrometallurgy

Year:

1982

Language:

english

File:

PDF, 483 KB

english, 1982

5

Algorithms and tools for high-throughput geometry-based analysis of crystalline porous materials

Thomas F. Willems, Chris H. Rycroft, Michaeel Kazi, Juan C. Meza, Maciej Haranczyk

Journal:

Microporous and Mesoporous Materials

Year:

2012

Language:

english

File:

PDF, 1.01 MB

english, 2012

6

Visualization of Molecular Orbitals and the Related Electron Densities

Haranczyk, Maciej, Gutowski, Maciej

Journal:

Journal of Chemical Theory and Computation

Year:

2008

Language:

english

File:

PDF, 906 KB

english, 2008

7

Vacancy formation energies in metals: A comparison of MetaGGA with LDA and GGA exchange–correlation functionals

Medasani, Bharat, Haranczyk, Maciej, Canning, Andrew, Asta, Mark

Journal:

Computational Materials Science

Year:

2015

Language:

english

File:

PDF, 1.20 MB

english, 2015

8

Modification of microstructure to increase impact toughness of nanostructured bainite–austenite steel

Garbarz, B., Niżnik–Harańczyk, B.

Journal:

Materials Science and Technology

Year:

2015

Language:

english

File:

PDF, 808 KB

english, 2015

9

Temperature evolution of hydration shells in solid DNA didecyldimethylammonium chloride complex studied by 1H NMR spectroscopy

Nizioł, Jacek, Nowak, Piotr, Kobierski, Jan, Harańczyk, Hubert

Journal:

European Polymer Journal

Year:

2015

Language:

english

File:

PDF, 1.00 MB

english, 2015

10

The Kupferschiefer; an overview with an appraisal of the different types of mineralization

Vaughan, D. J., Sweeney, M. A., Friedrich, G., Diedel, R., Haranczyk, C.

Journal:

Economic Geology

Year:

1989

Language:

english

File:

PDF, 748 KB

english, 1989

11

IDEAL:Images AcrossDomains,Experiments,Algorithms andLearning

Ushizima, Daniela M., Bale, Hrishikesh A., Bethel, E. Wes, Ercius, Peter, Helms, Brett A., Krishnan, Harinarayan, Grinberg, Lea T., Haranczyk, Maciej, Macdowell, Alastair A., Odziomek, Katarzyna, Park

Journal:

JOM Journal of the Minerals, Metals and Materials Society

Year:

2016

Language:

english

File:

PDF, 2.40 MB

english, 2016

12

Cutting Materials in Half: A Graph Theory Approach for Generating Crystal Surfaces and Its Prediction of 2D Zeolites

Witman, Matthew, Ling, Sanliang, Boyd, Peter, Barthel, Senja, Haranczyk, Maciej, Slater, Ben, Smit, Berend

Journal:

ACS Central Science

Year:

2018

Language:

english

File:

PDF, 3.70 MB

english, 2018

13

Mobility of water molecules in sodium- and copper-exchanged mordenites: Thermal analysis and 1 H NMR study

Krylova, E.A., Shelyapina, M.G., Nowak, P., Harańczyk, H., Chislov, M., Zvereva, I.A., Privalov, A.F., Becher, M., Vogel, M., Petranovskii, V.

Journal:

Microporous and Mesoporous Materials

Year:

2018

Language:

english

File:

PDF, 1.84 MB

english, 2018

14

Development of Structural Steel Containing 3÷5 wt% Al with Microlaminated Microstructure

Garbarz, B., Adamczyk, M., Niżnik-Harańczyk, B.

Journal:

Archives of Metallurgy and Materials

Year:

2017

Language:

english

File:

PDF, 2.34 MB

english, 2017

15

Computer-Aided Search for Materials to Store Natural Gas for Vehicles

Simon, Cory M., Kim, Jihan, Gomez-Gualdron, Diego A., Chung, Yongchul G., Martin, Richard L., Mercado, Rocio, Deem, Michael W., Gunter, Dan, Haranczyk, Maciej, Snurr, Randall Q., Smit, Berend

Journal:

Frontiers for Young Minds

Year:

2015

Language:

english

File:

PDF, 2.48 MB

english, 2015

16

Linear, self-assembled patterns appearing spontaneously as a result of DNA-CTMA lipoplex Langmuir-Blodgett deposition on a solid surface

Nizioł, Jacek, Makyła-Juzak, Katarzyna, Radko, Aleksandra, Ekiert, Robert, Zemła, Joanna, Górska, Natalia, Chachaj-Brekiesz, Anna, Marzec, Monika, Harańczyk, Hubert, Dynarowicz-Latka, Patrycja

Journal:

Year:

2019

Language:

english

File:

PDF, 3.32 MB

english, 2019

17

Finding Adiabatically Bound Anions of Guanine through a Combinatorial Computational Approach

Maciej Harańczyk, Maciej Gutowski

Journal:

Angewandte Chemie

Year:

2005

Language:

english

File:

PDF, 107 KB

english, 2005

18

Finding Adiabatically Bound Anions of Guanine through a Combinatorial Computational Approach

Maciej Harańczyk, Maciej Gutowski

Journal:

Angewandte Chemie International Edition

Year:

2005

Language:

english

File:

PDF, 107 KB

english, 2005

19

Are Mixed Explicit/Implicit Solvation Models Reliable for Studying Phosphate Hydrolysis? A Comparative Study of Continuum, Explicit and Mixed Solvation Models

Shina C. L. Kamerlin, Maciej Haranczyk, Arieh Warshel

Journal:

Year:

2009

Language:

english

File:

PDF, 365 KB

english, 2009

20

Structure and singly occupied molecular orbital analysis of anionic tautomers of guanine

Maciej Haranczyk, John Holliday, Peter Willett, Maciej Gutowski

Journal:

Journal of Computational Chemistry

Year:

2008

Language:

english

File:

PDF, 631 KB

english, 2008

21

Comparison of some representative density functional theory and wave function theory methods for the studies of amino acids

Wenbo Yu, Lei Liang, Zijing Lin, Sanliang Ling, Maciej Haranczyk, Maciej Gutowski

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 605 KB

english, 2009

22

Proton free induction decay evolution during hydration of white synthetic cement

R. Rumm, H. Haranczyk, H. Peemoeller, M.M. Pintar

Journal:

Cement and Concrete Research

Year:

1991

Language:

english

File:

PDF, 126 KB

english, 1991

23

Intermolecular proton transfer induced by excess electron attachment to adenine(formic acid)n (n = 2, 3) hydrogen-bonded complexes

Kamil Mazurkiewicz, Maciej Haranczyk, Piotr Storoniak, Maciej Gutowski, Janusz Rak, Dunja Radisic, Soren N. Eustis, Di Wang, Kit H. Bowen

Journal:

Chemical Physics

Year:

2007

Language:

english

File:

PDF, 366 KB

english, 2007

24

Self-regulation of metallic ion concentration in wet porous glass

K.G. Soga, H. Haranczyk, R.J. Rumm, M.M. Pintar

Journal:

Magnetic Resonance Imaging

Year:

1991

Language:

english

File:

PDF, 441 KB

english, 1991

25

The initial stages of wheat (Triticum aestivum, L.) seed imbibition as observed by proton nuclear magnetic relaxation

H. Harańczyk, K. Strzałka, G. Jasiński, K. Mosna-Bojarska

Journal:

Colloids and Surfaces A: Physicochemical and Engineering Aspects

Year:

1996

Language:

english

File:

PDF, 500 KB

english, 1996

26

Differences in electrostatic potential around DNA fragments containing adenine and 8-oxo-adenine: An analysis based on regular cylindrical projection

Maciej Harańczyk, John H. Miller, Maciej Gutowski

Journal:

Journal of Molecular Graphics and Modelling

Year:

2007

Language:

english

File:

PDF, 539 KB

english, 2007

27

Freezing of water bound in lichen thallus as observed by 1H NMR. II. Freezing protection mechanisms in a cosmopolitan lichen Cladonia mitis and in Antarctic lichen species at different hydration levels

H Harańczyk, J Grandjean, M Olech, M Michalik

Journal:

Colloids and Surfaces B: Biointerfaces

Year:

2003

Language:

english

File:

PDF, 196 KB

english, 2003

28

Freezing of water bound in lichen thallus as observed by 1H-NMR. I. Freezing of loosely bound water in Cladonia mitis at different hydration levels

H Harańczyk, J Grandjean, M Olech

Journal:

Colloids and Surfaces B: Biointerfaces

Year:

2003

Language:

english

File:

PDF, 227 KB

english, 2003

29

Catalysis models for the enolization of the acetaldehyde radical cation

Maciej Haranczyk, Peter C. Burgers, Paul J.A. Ruttink

Journal:

International Journal of Mass Spectrometry

Year:

2002

Language:

english

File:

PDF, 299 KB

english, 2002

30

Initial stages of lichen hydration observed by proton magnetic relaxation

H. HARAŃCZYK, S. GAŹDZIŃSKI, M. OLECH

Journal:

New Phytologist

Year:

1998

Language:

english

File:

PDF, 815 KB

english, 1998

31

ConGENER – A Tool for Modeling of the Congeneric Sets of Environmental Pollutants

Maciej Haranczyk, Tomasz Puzyn, Paweł Sadowski

Journal:

Molecular Informatics

Year:

2008

Language:

english

File:

PDF, 382 KB

english, 2008

32

Can an excess electron localize on a purine moiety in the adenine–thymine Watson–Crick base pair? A computational study

Kamil Mazurkiewicz, Maciej Harańczyk, Maciej Gutowski, Janusz Rak

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 243 KB

english, 2007

33

Turbo similarity searching: Effect of fingerprint and dataset on virtual-screening performance

Eleanor J. Gardiner, Valerie J. Gillet, Maciej Haranczyk, Jérôme Hert, John D. Holliday, Nurul Malim, Yogendra Patel, Peter Willett

Journal:

Statistical Analysis and Data Mining

Year:

2009

Language:

english

File:

PDF, 126 KB

english, 2009

34

Proton spin-lattice relaxation in thylakoid membranes of chloroplasts

J. S. Blicharski, H. Harańczyk, K. Strzałka

Journal:

Polymer Bulletin

Year:

1981

Language:

english

File:

PDF, 267 KB

english, 1981

35

31P-NMR observation of the temperature and glycerol induced non-lamellar phase formation in wheat thylakoid membranes

H. Harańczyk, K. Strzałka, W. Dietrich, J. S. Blicharski

Journal:

Journal of Biological Physics

Year:

1995

Language:

english

File:

PDF, 1.17 MB

english, 1995

36

Differences in electrostatic potential around DNA fragments containing guanine and 8-oxo-guanine

Maciej Harańczyk, Maciej Gutowski

Journal:

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

Year:

2007

Language:

english

File:

PDF, 269 KB

english, 2007

37

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

38

Combinatorial–computational–chemoinformatics (C3) approach to finding and analyzing low-energy tautomers

Maciej Haranczyk, Maciej Gutowski

Journal:

Journal of Computer-Aided Molecular Design

Year:

2010

Language:

english

File:

PDF, 438 KB

english, 2010

39

Estimating persistence of brominated and chlorinated organic pollutants in air, water, soil, and sediments with the QSPR-based classification scheme

T. Puzyn, M. Haranczyk, N. Suzuki, T. Sakurai

Journal:

Molecular Diversity

Year:

2011

Language:

english

File:

PDF, 519 KB

english, 2011

40

Global versus local QSPR models for persistent organic pollutants: balancing between predictivity and economy

Tomasz Puzyn, Agnieszka Gajewicz, Aleksandra Rybacka, Maciej Haranczyk

Journal:

Structural Chemistry

Year:

2011

Language:

english

File:

PDF, 473 KB

english, 2011

41

Modeling the overall persistence and environmental mobility of sulfur-containing polychlorinated organic compounds

Aleksandra Mostrąg, Tomasz Puzyn, Maciej Haranczyk

Journal:

Environmental Science and Pollution Research

Year:

2010

Language:

english

File:

PDF, 207 KB

english, 2010

42

Can we see, by proton spin relaxation, a percolation transition upon drying controlled pore size glass?

H. Haranczyk, K.G. Soga, R.J. Rumm, M.M. Pintar

Journal:

Magnetic Resonance Imaging

Year:

1991

Language:

english

File:

PDF, 360 KB

english, 1991

43

Topology-based Visualization of Transformation Pathways in Complex Chemical Systems

K. Beketayev, G.H. Weber, M. Haranczyk, P.-T. Bremer, M. Hlawitschka, B. Hamann

Journal:

Computer Graphics Forum

Year:

2011

Language:

english

File:

PDF, 2.08 MB

english, 2011

44

Addressing Challenges of Identifying Geometrically Diverse Sets of Crystalline Porous Materials

Martin, Richard Luis, Smit, Berend, Haranczyk, Maciej

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 1.29 MB

english, 2012

45

Electrostatic basis for the unidirectionality of the primary proton transfer in cytochrome c oxidase

Pisliakov, A. V., Sharma, P. K., Chu, Z. T., Haranczyk, M., Warshel, A.

Journal:

Proceedings of the National Academy of Sciences

Year:

2008

Language:

english

File:

PDF, 648 KB

english, 2008

46

Calculation of Quantum-Mechanical Descriptors for QSPR at the DFT Level: Is It Necessary?

Puzyn, Tomasz, Suzuki, Noriyuki, Haranczyk, Maciej, Rak, Janusz

Journal:

Journal of Chemical Information and Modeling

Year:

2008

Language:

english

File:

PDF, 410 KB

english, 2008

47

Predicting logarithmic values of the subcooled liquid vapor pressure of halogenated persistent organic pollutants with QSPR: How different are chlorinated and brominated congeners?

Agnieszka Gajewicz, Maciej Haranczyk, Tomasz Puzyn

Journal:

Atmospheric Environment

Year:

2010

Language:

english

File:

PDF, 589 KB

english, 2010

48

On enumeration of congeners of common persistent organic pollutants

Maciej Haranczyk, Tomasz Puzyn, Esmond G. Ng

Journal:

Environmental Pollution

Year:

2010

Language:

english

File:

PDF, 123 KB

english, 2010

49

Combinatorial × Computational × Cheminformatics (C 3 ) Approach to Characterization of Congeneric Libraries of Organic Pollutants

Haranczyk, Maciej, Urbaszek, Piotr, Ng, Esmond G., Puzyn, Tomasz

Journal:

Journal of Chemical Information and Modeling

Year:

2012

Language:

english

File:

PDF, 1.53 MB

english, 2012

50

Similarity-Driven Discovery of Zeolite Materials for Adsorption-Based Separations

Dr. Richard L. Martin, Thomas F. Willems, Li-Chiang Lin, Dr. Jihan Kim, Joseph A. Swisher, Prof. Dr. Berend Smit, Dr. Maciej Haranczyk

Journal:

Year:

2012

Language:

english

File:

PDF, 2.00 MB

english, 2012

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