Rezac, Jan: search on Z-Library

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1

Quantum effects in biological electron transfer

Lande, Aurélien de la, Babcock, Nathan S., Řezáč, Jan, Lévy, Bernard, Sanders, Barry C., Salahub, Dennis R.

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.85 MB

english, 2012

2

Reparametrization of the COSMO Solvent Model for Semiempirical Methods PM6 and PM7

Kříž, Kristian, Řezáč, Jan

Journal:

Journal of Chemical Information and Modeling

Year:

2019

Language:

english

File:

PDF, 552 KB

english, 2019

3

Introduction: Noncovalent Interactions

Hobza, Pavel, Řezáč, Jan

Journal:

Chemical Reviews

Year:

2016

Language:

english

File:

PDF, 1.44 MB

english, 2016

4

Cuby: An integrative framework for computational chemistry

Journal:

Journal of Computational Chemistry

Year:

2016

Language:

english

File:

PDF, 454 KB

english, 2016

5

Spontaneous Transformation in the Pinched Column of the Plasma Focus

Kubes, Pavel, Paduch, Marian, Pisarczyk, Tadeusz, Scholz, Mare, Chodukowski, Tomasz, Klir, Daniel, Kravarik, Jozef, Rezac, Karel, Ivanova-Stanik, Irena, Karpinski, Leslaw, Sadowski, Marek Jan, Tomasze

Journal:

IEEE Transactions on Plasma Science

Year:

2011

Language:

english

File:

PDF, 1.01 MB

english, 2011

6

Advanced Corrections of Hydrogen Bonding and Dispersion for Semiempirical Quantum Mechanical Methods

Řezáč, Jan, Hobza, Pavel

Journal:

Journal of Chemical Theory and Computation

Year:

2012

Language:

english

File:

PDF, 985 KB

english, 2012

7

Impressive Enrichment of Semiempirical Quantum Mechanics‐Based Scoring Function: HSP90 Protein with 4541 Inhibitors and Decoys

Eyrilmez, Saltuk M., Köprülüoğlu, Cemal, Řezáč, Jan, Hobza, Pavel

Journal:

Year:

2019

File:

PDF, 637 KB

2019

8

Investment in Top Architecture and its Potential for the City

Baumannová, Milada, Česelský, Jan, Řezáč, Miloslav

Journal:

Advanced Engineering Forum

Year:

2014

Language:

english

File:

PDF, 340 KB

english, 2014

9

Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes

Pecina, Adam, Brynda, Jiri, Vrzal, Lukas, Gnanasekaran, Ramachandran, Horejsi, Magdalena, Eyrilmez, Saltuk, Rezac, Jan, Lepsik, Martin, Rezacova, Pavlina, Hobza, Pavel, Majer, Pavel, Veverka, Vaclav,

Journal:

Year:

2018

Language:

english

File:

PDF, 1.58 MB

english, 2018

10

CCSD[T] Describes Noncovalent Interactions Better than the CCSD(T), CCSD(TQ), and CCSDT Methods

Řezáč, Jan, Šimová, Lucia, Hobza, Pavel

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 848 KB

english, 2013

11

Describing Noncovalent Interactions beyond the Common Approximations: How Accurate Is the “Gold Standard,” CCSD(T) at the Complete Basis Set Limit?

Řezáč, Jan, Hobza, Pavel

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 655 KB

english, 2013

12

Extensions of the S66 Data Set: More Accurate Interaction Energies and Angular-Displaced Nonequilibrium Geometries

Řezáč, Jan, Riley, Kevin E., Hobza, Pavel

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 1.03 MB

english, 2011

13

Ab Initio Quantum Mechanical Description of Noncovalent Interactions at Its Limits: Approaching the Experimental Dissociation Energy of the HF Dimer

Řezáč, Jan, Hobza, Pavel

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 429 KB

english, 2014

14

The performance of MP2.5 and MP2.X methods for nonequilibrium geometries of molecular complexes

Riley, Kevin E., Řezáč, Jan, Hobza, Pavel

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.44 MB

english, 2012

15

A halogen-bonding correction for the semiempirical PM6 method

Jan Řezáč, Pavel Hobza

Journal:

Chemical Physics Letters

Year:

2011

Language:

english

File:

PDF, 396 KB

english, 2011

16

Parameterization of the DFTB3 Method for Br, Ca, Cl, F, I, K, and Na in Organic and Biological Systems

Kubillus, Maximilian, Kubař, Tomáš, Gaus, Michael, Řezáč, Jan, Elstner, Marcus

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 369 KB

english, 2015

17

Erratum to “S66: A Well-balanced Database of Benchmark Interaction Energies Relevant to Biomolecular Structures”

Řezáč, Jan, Riley, Kevin E., Hobza, Pavel

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 184 KB

english, 2014

18

Competition between Halogen, Hydrogen and Dihydrogen Bonding in Brominated Carboranes

Fanfrlik, Jindrich, Holub, Josef, Ruzickova, Zdenka, Rezac, Jan, Lane, Paul, Wann, Derek, Hnyk, Drahomir, Ruzicka, Ales, Hobza, Pavel

Journal:

Year:

2016

Language:

english

File:

PDF, 913 KB

english, 2016

19

Description of halogen bonding in semiempirical quantum‐mechanical and self‐consistent charge density‐functional tight‐binding methods

Journal:

Journal of Computational Chemistry

Year:

2019

File:

PDF, 1.06 MB

2019

20

Stretched DNA Investigated Using Molecular-Dynamics and Quantum-Mechanical Calculations

Řezáč, Jan, Hobza, Pavel, Harris, Sarah A.

Journal:

Biophysical Journal

Year:

2010

Language:

english

File:

PDF, 1.22 MB

english, 2010

21

[IEEE 2013 36th International Conference on Telecommunications and Signal Processing (TSP) - Rome, Italy (2013.07.2-2013.07.4)] 2013 36th International Conference on Telecommunications and Signal Processing (TSP) - Interactive multimedia module into danger alert communication system

Tomala, Karel, Rozhon, Jan, Rezac, Filip, Partila, Pavol, Voznak, Miroslav, Mikulec, Martin

Year:

2013

Language:

english

File:

PDF, 1.57 MB

english, 2013

22

Benchmark Calculations of Interaction Energies in Noncovalent Complexes and Their Applications

Řezáč, Jan, Hobza, Pavel

Journal:

Chemical Reviews

Year:

2016

Language:

english

File:

PDF, 2.85 MB

english, 2016

23

Accurate non-covalent interactions via dispersion-corrected second-order Møller-Plesset perturbation theory

Řezáč, Jan, Greenwell, Chandler, Beran, Gregory J.O.

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 703 KB

english, 2018

24

Gating the electron transfer at a monocopper centre through the supramolecular coordination of water molecules within a protein chamber mimic

Le Poul, Nicolas, Colasson, Benoit, Thiabaud, Gregory, jeanneditfouque, dany, Iacobucci, Claudio, Memboeuf, Antony, Douziech, Bénédicte, Řezáč, Jan, Prangé, Thierry, de la Lande, Aurélien, Reinaud, Ol

Journal:

Chemical Science

Year:

2018

Language:

english

File:

PDF, 1.68 MB

english, 2018

25

Robust, Basis-Set Independent Method for the Evaluation of Charge-Transfer Energy in Noncovalent Complexes

Řezáč, Jan, de la Lande, Aurélien

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 1.39 MB

english, 2015

26

[IEEE 2015 38th International Conference on Telecommunications and Signal Processing (TSP) - Prague, Czech Republic (2015.7.9-2015.7.11)] 2015 38th International Conference on Telecommunications and Signal Processing (TSP) - Management, monitoring and multimedia services on embedded systems

Voznak, Miroslav, Slachta, Jiri, Rozhon, Jan, Rezac, Filip

Year:

2015

Language:

english

File:

PDF, 124 KB

english, 2015

27

The Impact of Urban Structure and Building Typology on Transport Solutions

Perinkova, Martina, Ceselsky, Jan, Řezáč, Miloslav

Journal:

Applied Mechanics and Materials

Year:

2014

Language:

english

File:

PDF, 496 KB

english, 2014

28

Macrocycle Conformational Sampling by DFT-D3/COSMO-RS Methodology

Gutten, Ondrej, Bím, Daniel, Řezáč, Jan, Rulisek, Lubomir

Journal:

Journal of Chemical Information and Modeling

Year:

2017

Language:

english

File:

PDF, 2.04 MB

english, 2017

29

Towards Accurate Conformational Energies of Smaller Peptides and Medium-Sized Macrocycles: MPCONF196 Benchmark Energy Data Set

Řezáč, Jan, Bím, Daniel, Gutten, Ondrej, Rulíšek, Lubomír

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 1.21 MB

english, 2018

30

Optimizing of Experimental Load of PFZ-200 Plasma Focus

Novotny, Jan, Cikhardt, Jakub, Kravarik, Jozef, Klir, Daniel, Kubes, Pavel, Munzar, Vojtech, Rezac, Karel

Journal:

IEEE Transactions on Plasma Science

Year:

2020

File:

PDF, 3.51 MB

2020

31

[IEEE 2015 38th International Conference on Telecommunications and Signal Processing (TSP) - Prague, Czech Republic (2015.7.9-2015.7.11)] 2015 38th International Conference on Telecommunications and Signal Processing (TSP) - Multi-agent system for monitoring the quality of speech in computer networks

Rezac, Filip, Rozhon, Jan, Voznak, Miroslav, Slachta, Jiri, Safarik, Jakub

Year:

2015

Language:

english

File:

PDF, 367 KB

english, 2015

32

[IEEE 2016 24th International Conference on Software, Telecommunications and Computer Networks (SoftCOM) - Split, Croatia (2016.9.22-2016.9.24)] 2016 24th International Conference on Software, Telecommunications and Computer Networks (SoftCOM) - Analysis of the IP telephony security issues using automatic neural network classifier

Rezac, Filip, Rozhon, Jan, Safarik, Jakub, Voznak, Miroslav, Bajakova, Zuzana

Year:

2016

Language:

english

File:

PDF, 1.14 MB

english, 2016

33

Quantum Chemical Benchmark Energy and Geometry Database for Molecular Clusters and Complex Molecular Systems (www.begdb.com): A Users Manual and Examples

Řezáč, Jan, Jurečka, Petr, Riley, Kevin E., Černý, Jiří, Valdes, Haydee, Pluháčková, Kristýna, Berka, Karel, Řezáč, Tomáš, Pitoňák, Michal, Vondrášek, Jiří, Hobza, Pavel

Journal:

Collection of Czechoslovak Chemical Communications

Year:

2008

Language:

english

File:

PDF, 1.08 MB

english, 2008

34

Differences in facial affect recognition between non-offending and offending drivers

Trepáčová, Martina, Řezáč, Pavel, Kurečková, Veronika, Zámečník, Petr, Řezáč, Jan, Kopečková, Lenka

Journal:

Transportation Research Part F: Traffic Psychology and Behaviour

Year:

2019

File:

PDF, 378 KB

2019

35

Malonate-based inhibitors of mammalian serine racemase: Kinetic characterization and structure-based computational study

Vorlová, Barbora, Nachtigallová, Dana, Jirásková-Vaníčková, Jana, Ajani, Haresh, Jansa, Petr, Řezáč, Jan, Fanfrlík, Jindřich, Otyepka, Michal, Hobza, Pavel, Konvalinka, Jan, Lepšík, Martin

Journal:

European Journal of Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 1010 KB

english, 2015

36

Extensions and applications of the A24 data set of accurate interaction energies

Řezáč, Jan, Dubecký, Matúš, Jurečka, Petr, Hobza, Pavel

Journal:

Physical Chemistry Chemical Physics

Year:

2015

Language:

english

File:

PDF, 1.82 MB

english, 2015

37

NON-COVALENT INTERACTIONS IN THE ANISOLE-(CO2)n (n =1,2) COMPLEXES

Becucci, Maurizio, Mazzoni, Federico, Pietraperzia, Giangaetano, Rezac, Jan, Nachtigallova, Dana, Hobza, Pavel

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.46 MB

english, 2017

38

Impressive Enrichment of Semiempirical Quantum Mechanics‐Based Scoring Function: HSP90 Protein with 4541 Inhibitors and Decoys

Eyrilmez, Saltuk M., Köprülüoğlu, Cemal, Řezáč, Jan, Hobza, Pavel

Journal:

Year:

2019

Language:

english

File:

PDF, 637 KB

english, 2019

39

Basis Set Dependence of Interaction Energies Computed Using Composite Post-MP2 Methods

Platts, James A., Hill, J. Grant, Riley, Kevin E., Řezáč, Jan, Hobza, Pavel

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 416 KB

english, 2013

40

Representative Amino Acid Side Chain Interactions in Protein–DNA complexes. A Comparison of Highly Accurate Correlated ab Initio Quantum Mechanical Calculations and Efficient Approaches for Applications to Large Systems

Hostaš, Jiří, Jakubec, David, Laskowski, Roman Aleksander, Gnanasekaran, Ramachandran, Řezáč, Jan, Vondrasek, Jiri, Hobza, Pavel

Journal:

Journal of Chemical Theory and Computation

Year:

2015

Language:

english

File:

PDF, 1.28 MB

english, 2015

41

Description of non-covalent interactions in SCC-DFTB methods

Miriyala, Vijay Madhav, Řezáč, Jan

Journal:

Journal of Computational Chemistry

Year:

2017

Language:

english

File:

PDF, 425 KB

english, 2017

42

Accuracy of Quantum Chemical Methods for Large Noncovalent Complexes

Sedlak, Robert, Janowski, Tomasz, Pitoňák, Michal, Řezáč, Jan, Pulay, Peter, Hobza, Pavel

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 1.19 MB

english, 2013

43

Corrigendum to “Parallel low-memory quasi-Newton optimization algorithm for molecular structure” [Chem. Phys. Lett. 584 (2013) 10–13]

Klemsa, Jakub, Řezáč, Jan

Journal:

Chemical Physics Letters

Year:

2014

File:

PDF, 172 KB

2014

44

The Semiempirical Quantum Mechanical Scoring Function for In Silico Drug Design

Lepšík, Martin, Řezáč, Jan, Kolář, Michal, Pecina, Adam, Hobza, Pavel, Fanfrlík, Jindřich

Journal:

Year:

2013

Language:

english

File:

PDF, 2.29 MB

english, 2013

45

B−H···π: A Nonclassical Hydrogen Bond or Dispersion Contact?

Fanfrlik, Jindrich, Pecina, Adam, Řezáč, Jan, Sedlak, Robert, Hnyk, Drahomír, Lepsik, Martin, Hobza, Pavel

Journal:

Physical Chemistry Chemical Physics

Year:

2017

Language:

english

File:

PDF, 1.47 MB

english, 2017

46

Accurate DFT-D3 calculations in a small basis set

Hostaš, Jiří, Řezáč, Jan

Journal:

Journal of Chemical Theory and Computation

Year:

2017

Language:

english

File:

PDF, 1.53 MB

english, 2017

47

Differences in facial affect recognition between non-offending and offending drivers

Trepáčová, Martina, Řezáč, Pavel, Kurečková, Veronika, Zámečník, Petr, Řezáč, Jan, Kopečková, Lenka

Journal:

Transportation Research Part F: Traffic Psychology and Behaviour

Year:

2019

Language:

english

File:

PDF, 378 KB

english, 2019

48

Efficient Covalent Bond Formation in Gas-Phase Peptide–Peptide Ion Complexes with the Photoleucine Stapler

Shaffer, Christopher J., Andrikopoulos, Prokopis C., Řezáč, Jan, Rulíšek, Lubomír, Tureček, František

Journal:

Journal of the American Society for Mass Spectrometry

Year:

2016

Language:

english

File:

PDF, 1.80 MB

english, 2016

49

Evolution of a Pinch Column During the Acceleration of Fast Electrons and Deuterons in a Plasma-Focus Discharge

Kubes, Pavel, Paduch, Marian, Sadowski, Marek Jan, Cikhardt, Jakub, Cikhardtova, Balzhima, Klir, Daniel, Kravarik, Jozef, Munzar, Vojtech, Rezac, Karel, Skladnik-Sadowska, Elzbieta, Szymaszek, Andrzej

Journal:

IEEE Transactions on Plasma Science

Year:

2019

Language:

english

File:

PDF, 1.82 MB

english, 2019

50

Parallel low-memory quasi-Newton optimization algorithm for molecular structure

Klemsa, Jakub, Řezáč, Jan

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 509 KB

english, 2013

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