Maršálek, Ondřej: search on Z-Library

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1

Improvements in Computational Modelling of Slide Bearings

Maršálek, Ondřej, Novotný, Pavel, Drápal, Lubomír, Píštěk, Václav

Journal:

Journal of Middle European Construction and Design of Cars

Year:

2012

Language:

english

File:

PDF, 2.06 MB

english, 2012

2

Electrons in Cold Water Clusters: An ab Initio Molecular Dynamics Study of Localization and Metastable States †

Marsalek, Ondrej, Uhlig, Frank, Jungwirth, Pavel

Journal:

The Journal of Physical Chemistry C

Year:

2010

Language:

english

File:

PDF, 3.78 MB

english, 2010

3

Ab initio molecular dynamics with nuclear quantum effects at classical cost: Ring polymer contraction for density functional theory

Marsalek, Ondrej, Markland, Thomas E.

Journal:

The Journal of Chemical Physics

Year:

2016

Language:

english

File:

PDF, 1.47 MB

english, 2016

4

Arrhenius analysis of anisotropic surface self-diffusion on the prismatic facet of ice

Gladich, Ivan, Pfalzgraff, William, Maršálek, Ondřej, Jungwirth, Pavel, Roeselová, Martina, Neshyba, Steven

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 3.14 MB

english, 2011

5

Charge Transfer between Water Molecules As the Possible Origin of the Observed Charging at the Surface of Pure Water

Vácha, Robert, Marsalek, Ondrej, Willard, Adam P., Bonthuis, Douwe Jan, Netz, Roland R., Jungwirth, Pavel

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 1011 KB

english, 2012

6

Multi Body Analysis Of A Turbocharger Supported By A Fully Floating Ring Bearing

Knotek, Jiří, Novotný, Pavel, Maršálek, Ondřej, Raffai, Peter

Journal:

Journal of Middle European Construction and Design of Cars

Year:

2015

Language:

english

File:

PDF, 1.16 MB

english, 2015

7

The Influence of Rotor Unbalance on Turbocharger Rotor Dynamics

Knotek, Jiří, Novotný, Pavel, Maršálek, Ondřej, Raffai, Peter, Dlugoš, Jozef

Journal:

Journal of Middle European Construction and Design of Cars

Year:

2015

Language:

english

File:

PDF, 1.33 MB

english, 2015

8

Analyses of cyanobacterial toxins (microcystins, cylindrospermopsin) in the reservoirs of the Czech Republic and evaluation of health risks

Lucie Bláhová, Pavel Babica, Ondřej Adamovský, Jiří Kohoutek, Blahoslav Maršálek, Luděk Bláha

Journal:

Environmental Chemistry Letters

Year:

2008

Language:

english

File:

PDF, 305 KB

english, 2008

9

Chasing charge localization and chemical reactivity following photoionization in liquid water

Marsalek, Ondrej, Elles, Christopher G., Pieniazek, Piotr A., Pluhařová, Eva, VandeVondele, Joost, Bradforth, Stephen E., Jungwirth, Pavel

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.23 MB

english, 2011

10

Transition of cavitating flow to supercavitation within Venturi nozzle – hysteresis investigation

Jiří, Kozák, Pavel, Rudolf, Rostislav, Huzlík, Martin, Hudec, Radomír, Chovanec, Ondřej, Urban, Blahoslav, Maršálek, Eliška, Maršálková, František, Pochylý, David, Štefan, Dančová, P.

Journal:

EPJ Web of Conferences

Year:

2017

Language:

english

File:

PDF, 2.68 MB

english, 2017

11

Committee neural network potentials control generalization errors and enable active learning

Schran, Christoph, Brezina, Krystof, Marsalek, Ondrej

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 2.26 MB

2020

12

Correction to “Electron at the Surface of Water: Dehydrated or Not?”

Uhlig, Frank, Marsalek, Ondrej, Jungwirth, Pavel

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

File:

PDF, 121 KB

2013

13

Temporal and spatial variability of cyanobacterial toxins microcystins in three interconnected freshwater reservoirs

Bláha, Luděk, Bláhová, Lucie, Kohoutek, Jiří, Adamovský, Ondřej, Babica, Pavel, Marsálek, Blahoslav

Journal:

Journal of the Serbian Chemical Society

Year:

2010

Language:

english

File:

PDF, 266 KB

english, 2010

14

Structure, Dynamics, and Reactivity of Hydrated Electrons by Ab Initio Molecular Dynamics

Marsalek, Ondrej, Uhlig, Frank, VandeVondele, Joost, Jungwirth, Pavel

Journal:

Accounts of Chemical Research

Year:

2012

Language:

english

File:

PDF, 3.72 MB

english, 2012

15

Hydrogen Forms in Water by Proton Transfer to a Distorted Electron

Marsalek, Ondrej, Frigato, Tomaso, VandeVondele, Joost, Bradforth, Stephen E., Schmidt, Burkhard, Schütte, Christof, Jungwirth, Pavel

Journal:

Journal of Physical Chemistry B

Year:

2010

Language:

english

File:

PDF, 3.84 MB

english, 2010

16

The Quest for Accurate Liquid Water Properties from First Principles

Ruiz Pestana, Luis, Marsalek, Ondrej, Markland, Thomas E., Head-Gordon, Teresa

Journal:

The Journal of Physical Chemistry Letters

Year:

2018

Language:

english

File:

PDF, 808 KB

english, 2018

17

Correction to “Unraveling the Complex Nature of the Hydrated Electron”

Uhlig, Frank, Marsalek, Ondrej, Jungwirth, Pavel

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

File:

PDF, 122 KB

2013

18

Corrigendum to “Unravelling the influence of quantum proton delocalization on electronic charge transfer through the hydrogen bond” [Chem. Phys. Lett. 678 (2017) 289–295]

Schran, Christoph, Marsalek, Ondrej, Markland, Thomas E.

Journal:

Chemical Physics Letters

Year:

2018

Language:

english

File:

PDF, 440 KB

english, 2018

19

Quantum Dynamics and Spectroscopy of Ab Initio Liquid Water: The Interplay of Nuclear and Electronic Quantum Effects

Marsalek, Ondrej, Markland, Thomas E.

Journal:

The Journal of Physical Chemistry Letters

Year:

2017

Language:

english

File:

PDF, 1.38 MB

english, 2017

20

i-PI 2.0: A universal force engine for advanced molecular simulations

Kapil, Venkat, Rossi, Mariana, Marsalek, Ondrej, Petraglia, Riccardo, Litman, Yair, Spura, Thomas, Cheng, Bingqing, Cuzzocrea, Alice, Meißner, Robert H., Wilkins, David M., Juda, Przemysław, Bienvenue

Journal:

Computer Physics Communications

Year:

2018

Language:

english

File:

PDF, 5.12 MB

english, 2018

21

Evaluation of extraction approaches linked to ELISA and HPLC for analyses of microcystin-LR, -RR and -YR in freshwater sediments with different organic material contents

Pavel Babica, Jiří Kohoutek, Luděk Bláha, Ondřej Adamovský, Blahoslav Maršálek

Journal:

Analytical and Bioanalytical Chemistry

Year:

2006

Language:

english

File:

PDF, 140 KB

english, 2006

22

Selection Of Analytical Computational Model Of Contact Pressure

Maršálek, Ondřej, Vopařil, Jan, Raffai, Peter, Novotný, Pavel

Journal:

Journal of Middle European Construction and Design of Cars

Year:

2015

Language:

english

File:

PDF, 2.60 MB

english, 2015

23

Detoxification and oxidative stress responses along with microcystins accumulation in Japanese quail exposed to cyanobacterial biomass

Veronika Pašková, Ondřej Adamovský, Jiří Pikula, Blanka Skočovská, Hana Band'ouchová, Jana Horáková, Pavel Babica, Blahoslav Maršálek, Klára Hilscherová

Journal:

Science of The Total Environment

Year:

2008

Language:

english

File:

PDF, 1.23 MB

english, 2008

24

Airport Emergency Plan and Emergency Events Management System in Transport of Renewable Resources

Ščurek, Radomir, Maršálek, Daniel, Konečný, Martin, Stoniš, Ondřej

Journal:

Advanced Materials Research

Year:

2014

Language:

english

File:

PDF, 303 KB

english, 2014

25

Competing quantum effects in the free energy profiles and diffusion rates of hydrogen and deuterium molecules through clathrate hydrates

Cendagorta, Joseph R., Powers, Anna, Hele, Timothy J. H., Marsalek, Ondrej, Bačić, Zlatko, Tuckerman, Mark E.

Journal:

Physical Chemistry Chemical Physics

Year:

2016

Language:

english

File:

PDF, 2.48 MB

english, 2016

26

The Benzene Radical Anion in the Context of the Birch Reduction: When Solvation Is the Key

Brezina, Krystof, Jungwirth, Pavel, Marsalek, Ondrej

Journal:

The Journal of Physical Chemistry Letters

Year:

2020

File:

PDF, 1.65 MB

2020

27

Effects of co-exposure to cyanobacterial biomass, lead and immunological challenge in Japanese quails

Jiri Pikula, Ondrej Adamovsky, Hana Bandouchova, Klara Hilscherova, Jana Horakova, Jiri Machat, Blahoslav Marsalek, Veronika Paskova

Journal:

Toxicology Letters

Year:

2008

Language:

english

File:

PDF, 96 KB

english, 2008

28

From a localized H3O radical to a delocalized H3O+⋯e− solvent-separated pair by sequential hydration

Uhlig, Frank, Marsalek, Ondrej, Jungwirth, Pavel

Journal:

Physical Chemistry Chemical Physics

Year:

2011

Language:

english

File:

PDF, 2.63 MB

english, 2011

29

Ab Initio Molecular Dynamics Approach to a Quantitative Description of Ion Pairing in Water

Pluhařová, Eva, Marsalek, Ondrej, Schmidt, Burkhard, Jungwirth, Pavel

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 1.13 MB

english, 2013

30

Beyond Badger's Rule: The Origins and Generality of the Structure-Spectra Relationship of Aqueous Hydrogen Bond

Boyer, Mark A., Marsalek, Ondrej, Heindel, Joseph, Markland, Thomas E., McCoy, Anne B., Xantheas, Sotiris S.

Journal:

The Journal of Physical Chemistry Letters

Year:

2019

File:

PDF, 790 KB

2019

31

Unravelling the influence of quantum proton delocalization on electronic charge transfer through the hydrogen bond

Schran, Christoph, Marsalek, Ondrej, Markland, Thomas E.

Journal:

Chemical Physics Letters

Year:

2017

Language:

english

File:

PDF, 1.66 MB

english, 2017

32

Combined exposure to cyanobacterial biomass, lead and the Newcastle virus enhances avian toxicity

Jiri Pikula, Hana Bandouchova, Klara Hilscherova, Veronika Paskova, Jana Sedlackova, Ondrej Adamovsky, Zora Knotkova, Petr Lany, Jiri Machat, Blahoslav Marsalek, Ladislav Novotny, Miroslav Pohanka, Fr

Journal:

Science of The Total Environment

Year:

2010

Language:

english

File:

PDF, 603 KB

english, 2010

33

Impact of the Condensed-Phase Environment on the Translation–Rotation Eigenstates and Spectra of a Hydrogen Molecule in Clathrate Hydrates

Powers, Anna, Marsalek, Ondrej, Xu, Minzhong, Ulivi, Lorenzo, Colognesi, Daniele, Tuckerman, Mark E., Bačić, Zlatko

Journal:

The Journal of Physical Chemistry Letters

Year:

2016

Language:

english

File:

PDF, 2.55 MB

english, 2016

34

Ergodicity and parameter estimates in auditory neural circuits

Toth, Peter G., Marsalek, Petr, Pokora, Ondrej

Journal:

Biological Cybernetics

Year:

2017

Language:

english

File:

PDF, 660 KB

english, 2017

35

Role Of Computational Simulations In The Design Of Piston Rings

Novotný, Pavel, Raffai, Peter, Dlugoš, Jozef, Maršálek, Ondřej, Knotek, Jiří

Journal:

Journal of Middle European Construction and Design of Cars

Year:

2015

Language:

english

File:

PDF, 3.62 MB

english, 2015

36

Structure and Dynamics of the Hydration Shell: Spatially Decomposed Time Correlation Approach

Pluharova, Eva, Jungwirth, Pavel, Matubayasi, Nobuyuki, Marsalek, Ondrej

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 4.38 MB

english, 2018

37

Solvation and ion-pairing properties of the aqueous sulfate anion: explicit versus effective electronic polarization

Pegado, Luís, Marsalek, Ondrej, Jungwirth, Pavel, Wernersson, Erik

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 3.73 MB

english, 2012

38

Dynamics of Electron Localization in Warm versus Cold Water Clusters

Marsalek, Ondrej, Uhlig, Frank, Frigato, Tomaso, Schmidt, Burkhard, Jungwirth, Pavel

Journal:

Physical Review Letters

Year:

2010

Language:

english

File:

PDF, 1.43 MB

english, 2010

39

The Interplay of Structure and Dynamics in the Raman Spectrum of Liquid Water over the Full Frequency and Temperature Range

Morawietz, Tobias, Marsalek, Ondrej, Pattenaude, Shannon R., Streacker, Louis M., Ben-Amotz, Dor, Markland, Thomas E.

Journal:

The Journal of Physical Chemistry Letters

Year:

2018

Language:

english

File:

PDF, 2.87 MB

english, 2018

40

Exploring the Impact on Radio Frequency Signal of RFID Technology Related to Physical Protection of Renewable Resources

Ščurek, Radomir, Konečný, Martin, Stoniš, Ondřej, Maršálek, Daniel

Journal:

Advanced Materials Research

Year:

2014

Language:

english

File:

PDF, 360 KB

english, 2014

41

System of Management of Uncertainty and Risk of Renewable Resources

Ščurek, Radomir, Stoniš, Ondřej, Konečný, Martin, Maršálek, Daniel

Journal:

Advanced Materials Research

Year:

2014

Language:

english

File:

PDF, 347 KB

english, 2014

42

Tracking Aqueous Proton Transfer by Two-Dimensional Infrared Spectroscopy and ab Initio Molecular Dynamics Simulations

Yuan, Rongfeng, Napoli, Joseph A., Yan, Chang, Marsalek, Ondrej, Markland, Thomas E., Fayer, Michael D.

Journal:

ACS Central Science

Year:

2019

Language:

english

File:

PDF, 3.76 MB

english, 2019

43

Unraveling the Complex Nature of the Hydrated Electron

Uhlig, Frank, Marsalek, Ondrej, Jungwirth, Pavel

Journal:

The Journal of Physical Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 2.04 MB

english, 2012

44

Microcystin kinetics (bioaccumulation and elimination) and biochemical responses in common carp (Cyprinus carpio) and silver carp (Hypophthalmichthys molitrix) exposed to toxic cyanobacterial blooms

Ondřej Adamovský, Radovan Kopp, Klára Hilscherová, Pavel Babica, Miroslava Palíková, Veronika Pašková, Stanislav Navrátil, Blahoslav Maršálek, Luděk Bláha

Journal:

Environmental Toxicology and Chemistry

Year:

2007

Language:

english

File:

PDF, 208 KB

english, 2007

45

Peptide salt bridge stability: From gas phase via microhydration to bulk water simulations

Pluhařová, Eva, Marsalek, Ondrej, Schmidt, Burkhard, Jungwirth, Pavel

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 2.67 MB

english, 2012

46

Norfloxacin—Toxicity for Zebrafish (Danio rerio) Focused on Oxidative Stress Parameters

Bartoskova, Marta, Dobsikova, Radka, Stancova, Vlasta, Pana, Ondrej, Zivna, Dana, Plhalova, Lucie, Blahova, Jana, Marsalek, Petr

Journal:

BioMed Research International

Year:

2014

Language:

english

File:

PDF, 475 KB

english, 2014

47

Electron at the Surface of Water: Dehydrated or Not?

Uhlig, Frank, Marsalek, Ondrej, Jungwirth, Pavel

Journal:

The Journal of Physical Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 1.70 MB

english, 2013

48

Efficient Calculation of Free Energy Differences Associated with Isotopic Substitution Using Path-Integral Molecular Dynamics

Marsalek, Ondrej, Chen, Pei-Yang, Dupuis, Romain, Benoit, Magali, Méheut, Merlin, Bačić, Zlatko, Tuckerman, Mark E.

Journal:

Journal of Chemical Theory and Computation

Year:

2014

Language:

english

File:

PDF, 1.64 MB

english, 2014

49

Correction to “Ab Initio Molecular Dynamics Approach to Quantitative Description of Ion Pairing in Water”

Pluhařová, Eva, Marsalek, Ondrej, Schmidt, Burkhard, Jungwirth, Pavel

Journal:

The Journal of Physical Chemistry Letters

Year:

2015

Language:

english

File:

PDF, 358 KB

english, 2015

50

Decoding the spectroscopic features and time scales of aqueous proton defects

Napoli, Joseph A., Marsalek, Ondrej, Markland, Thomas E.

Journal:

The Journal of Chemical Physics

Year:

2018

Language:

english

File:

PDF, 1.43 MB

english, 2018

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