I. Harańczyk: search on Z-Library

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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

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

3

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

4

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

5

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

6

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

7

Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal–Organic Framework Database: CoRE MOF 2019

Chung, Yongchul G., Haldoupis, Emmanuel, Bucior, Benjamin J., Haranczyk, Maciej, Lee, Seulchan, Zhang, Hongda, Vogiatzis, Konstantinos D., Milisavljevic, Marija, Ling, Sanliang, Camp, Jeffrey S., Slat

Journal:

Journal of Chemical & Engineering Data

Year:

2019

Language:

english

File:

PDF, 2.65 MB

english, 2019

8

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

9

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

10

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

11

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

12

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

13

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

14

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

15

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

16

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

17

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

18

In Silico Design of Three-Dimensional Porous Covalent Organic Frameworks via Known Synthesis Routes and Commercially Available Species

Martin, Richard L., Simon, Cory M., Medasani, Bharat, Britt, David K., Smit, Berend, Haranczyk, Maciej

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 4.71 MB

english, 2014

19

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

20

Zeolite screening for the separation of gas mixtures containing SO 2 , CO 2 and CO

Matito-Martos, I., Martin-Calvo, A., Gutiérrez-Sevillano, J. J., Haranczyk, M., Doblare, M., Parra, J. B., Ania, C. O., Calero, S.

Journal:

Physical Chemistry Chemical Physics

Year:

2014

Language:

english

File:

PDF, 3.16 MB

english, 2014

21

In Silico Discovery of High Deliverable Capacity Metal–Organic Frameworks

Bao, Yi, Martin, Richard L., Simon, Cory M., Haranczyk, Maciej, Smit, Berend, Deem, Michael W.

Journal:

The Journal of Physical Chemistry C

Year:

2015

Language:

english

File:

PDF, 14.72 MB

english, 2015

22

Effect of excess electron and one water molecule on relative stability of the canonical and zwitterionic tautomers of glycine

Haranczyk, Maciej, Gutowski, Maciej

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 734 KB

english, 2008

23

Impact of the strength and spatial distribution of adsorption sites on methane deliverable capacity in nanoporous materials

Gómez-Gualdrón, Diego A., Simon, Cory M., Lassman, William, Chen, David, Martin, Richard L., Haranczyk, Maciej, Farha, Omar K., Smit, Berend, Snurr, Randall Q.

Journal:

Chemical Engineering Science

Year:

2016

Language:

english

File:

PDF, 3.77 MB

english, 2016

24

Towards accurate porosity descriptors based on guest-host interactions

Paik, Dooam, Haranczyk, Maciej, Kim, Jihan

Journal:

Journal of Molecular Graphics and Modelling

Year:

2016

Language:

english

File:

PDF, 2.13 MB

english, 2016

25

Predicting defect behavior in B2 intermetallics by merging ab initio modeling and machine learning

Medasani, Bharat, Gamst, Anthony, Ding, Hong, Chen, Wei, Persson, Kristin A, Asta, Mark, Canning, Andrew, Haranczyk, Maciej

Journal:

npj Computational Materials

Year:

2016

Language:

english

File:

PDF, 1.20 MB

english, 2016

26

In silico design and assembly of cage molecules into porous molecular materials.

Bernabei, Marco, Pérez-Soto, Raúl, Gomez Garcia, Ismael, Haranczyk, Maciej

Journal:

Mol. Syst. Des. Eng.

Year:

2018

Language:

english

File:

PDF, 1.66 MB

english, 2018

27

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

28

Characterization and comparison of pore landscapes in crystalline porous materials

Pinheiro, Marielle, Martin, Richard L., Rycroft, Chris H., Jones, Andrew, Iglesia, Enrique, Haranczyk, Maciej

Journal:

Journal of Molecular Graphics and Modelling

Year:

2013

Language:

english

File:

PDF, 2.85 MB

english, 2013

29

Gas Diffusion in a Porous Organic Cage: Analysis of Dynamic Pore Connectivity Using Molecular Dynamics Simulations

Holden, Daniel, Jelfs, Kim E., Trewin, Abbie, Willock, David J., Haranczyk, Maciej, Cooper, Andrew I.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 7.83 MB

english, 2014

30

Evaluating different classes of porous materials for carbon capture

Huck, Johanna M., Lin, Li-Chiang, Berger, Adam H., Shahrak, Mahdi Niknam, Martin, Richard L., Bhown, Abhoyjit S., Haranczyk, Maciej, Reuter, Karsten, Smit, Berend

Journal:

Energy & Environmental Science

Year:

2014

Language:

english

File:

PDF, 2.06 MB

english, 2014

31

Excess Electron Attachment Induces Barrier-Free Proton Transfer in Anionic Complexes of Thymine and Uracil with Formic Acid

Harańczyk, Maciej, Da̧bkowska, Iwona, Rak, Janusz, Gutowski, Maciej, Nilles, J. Michael, Stokes, Sarah, Radisic, Dunja, Bowen, Kit H.

Journal:

Journal of Physical Chemistry B

Year:

2004

Language:

english

File:

PDF, 82 KB

english, 2004

32

Mathematical Tools for Discovery of Nanoporous Materials for Energy Applications

Haranczyk, M, Martin, R L

Journal:

Journal of Physics Conference Series

Year:

2015

Language:

english

File:

PDF, 872 KB

english, 2015

33

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

34

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

35

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

36

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

37

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

38

Reliability of environmental fate modeling results for POPs based on various methods of determining the air/water partition coefficient (log KAW)

Odziomek, K., Gajewicz, A., Haranczyk, M., Puzyn, T.

Journal:

Atmospheric Environment

Year:

2013

Language:

english

File:

PDF, 1.29 MB

english, 2013

39

In silico Design of Porous Polymer Networks: High-Throughput Screening for Methane Storage Materials

Martin, Richard L., Simon, Cory M., Smit, Berend, Haranczyk, Maciej

Journal:

Journal of the American Chemical Society

Year:

2014

Language:

english

File:

PDF, 1.01 MB

english, 2014

40

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

41

Deep dehydration of Umbilicaria aprina thalli observed by proton NMR and sorption isotherm

Harańczyk, H., Bacior, M., Olech, M.A.

Journal:

Antarctic Science

Year:

2008

Language:

english

File:

PDF, 171 KB

english, 2008

42

Toward crystalline porosity estimators for porous molecules

GÃ³mez GarcÃa, Ismael, Haranczyk, Maciej

Journal:

Year:

2020

File:

PDF, 2.66 MB

2020

43

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

44

Part 2: The 3rd International Workshop on Space Radiation Research || Structure and Energetics of Clustered Damage Sites

J. H. Miller, A. Aceves-Gaona, M. B. Ernst, M. Haranczyk, M. Gutowski, E. R. Vorpagel and M. Dupuis

Journal:

Radiation Research

Year:

2005

Language:

english

File:

PDF, 1.12 MB

english, 2005

45

Predicting Large CO 2 Adsorption in Aluminosilicate Zeolites for Postcombustion Carbon Dioxide Capture

Kim, Jihan, Lin, Li-Chiang, Swisher, Joseph A., Haranczyk, Maciej, Smit, Berend

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 866 KB

english, 2012

46

Relative and Discrete Utility Maximising Entropy

Harańczyk, Grzegorz, Słomczyński, Wojciech, Zastawniak, Tomasz

Journal:

Open Systems & Information Dynamics

Year:

2008

Language:

english

File:

PDF, 419 KB

english, 2008

47

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

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

Cover Picture: Similarity-Driven Discovery of Zeolite Materials for Adsorption-Based Separations (ChemPhysChem 16/2012)

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

Journal:

Year:

2012

File:

PDF, 734 KB

2012

50

Comparison of Nonbinary Similarity Coefficients for Similarity Searching, Clustering and Compound Selection

Khalifa, Aysha Al, Haranczyk, Maciej, Holliday, John

Journal:

Journal of Chemical Information and Modeling

Year:

2009

Language:

english

File:

PDF, 1.83 MB

english, 2009

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