Pluharova, Eva : rechercher sur Z-Library

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1

Hydration of the chloride ion in concentrated aqueous solutions using neutron scattering and molecular dynamics

Pluhařová, Eva, Fischer, Henry E., Mason, Philip E., Jungwirth, Pavel

Journal:

Molecular Physics

Année:

2014

Langue:

english

Fichier:

PDF, 1008 KB

english, 2014

2

Ion Pairing in Aqueous Lithium Salt Solutions with Monovalent and Divalent Counter-Anions

Pluhařová, Eva, Mason, Philip E., Jungwirth, Pavel

Journal:

Journal of Physical Chemistry A

Année:

2013

Langue:

english

Fichier:

PDF, 1.74 MB

english, 2013

3

Ionization of Purine Tautomers in Nucleobases, Nucleosides, and Nucleotides: From the Gas Phase to the Aqueous Environment

Pluhařová, Eva, Jungwirth, Pavel, Bradforth, Stephen E., Slavíček, Petr

Journal:

Journal of Physical Chemistry B

Année:

2011

Langue:

english

Fichier:

PDF, 4.81 MB

english, 2011

4

Ions at Hydrophobic Aqueous Interfaces: Molecular Dynamics with Effective Polarization

Vazdar, Mario, Pluhařová, Eva, Mason, Phil E., Vácha, Robert, Jungwirth, Pavel

Journal:

The Journal of Physical Chemistry Letters

Année:

2012

Langue:

english

Fichier:

PDF, 1023 KB

english, 2012

5

Unexpectedly Small Effect of the DNA Environment on Vertical Ionization Energies of Aqueous Nucleobases

Pluhařová, Eva, Schroeder, Christi, Seidel, Robert, Bradforth, Stephen E., Winter, Bernd, Faubel, Manfred, Slavíček, Petr, Jungwirth, Pavel

Journal:

The Journal of Physical Chemistry Letters

Année:

2013

Langue:

english

Fichier:

PDF, 1.16 MB

english, 2013

6

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

Année:

2013

Langue:

english

Fichier:

PDF, 1.13 MB

english, 2013

7

Transforming Anion Instability into Stability: Contrasting Photoionization of Three Protonation Forms of the Phosphate Ion upon Moving into Water

Pluhařová, Eva, Ončák, Milan, Seidel, Robert, Schroeder, Christi, Schroeder, William, Winter, Bernd, Bradforth, Stephen E., Jungwirth, Pavel, Slavíček, Petr

Journal:

Journal of Physical Chemistry B

Année:

2012

Langue:

english

Fichier:

PDF, 1.42 MB

english, 2012

8

Aqueous Cation-Amide Binding: Free Energies and IR Spectral Signatures by Ab Initio Molecular Dynamics

Pluhařová, Eva, Baer, Marcel D., Mundy, Christopher J., Schmidt, Burkhard, Jungwirth, Pavel

Journal:

The Journal of Physical Chemistry Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.70 MB

english, 2014

9

Oxidation Half-Reaction of Aqueous Nucleosides and Nucleotides via Photoelectron Spectroscopy Augmented by ab Initio Calculations

Schroeder, Christi A., Pluhařová, Eva, Seidel, Robert, Schroeder, William P., Faubel, Manfred, Slavíček, Petr, Winter, Bernd, Jungwirth, Pavel, Bradforth, Stephen E.

Journal:

Journal of the American Chemical Society

Année:

2015

Langue:

english

Fichier:

PDF, 1.45 MB

english, 2015

10

DNA Lesion Can Facilitate Base Ionization: Vertical Ionization Energies of Aqueous 8-Oxoguanine and its Nucleoside and Nucleotide

Palivec, Vladimír, Pluhařová, Eva, Unger, Isaak, Winter, Bernd, Jungwirth, Pavel

Journal:

Journal of Physical Chemistry B

Année:

2014

Langue:

english

Fichier:

PDF, 1.25 MB

english, 2014

11

Modeling Photoionization of Aqueous DNA and Its Components

Pluhařová, Eva, Slavíček, Petr, Jungwirth, Pavel

Journal:

Accounts of Chemical Research

Année:

2015

Langue:

english

Fichier:

PDF, 494 KB

english, 2015

12

Exploring Ion–Ion Interactions in Aqueous Solutions by a Combination of Molecular Dynamics and Neutron Scattering

Kohagen, Miriam, Pluhařová, Eva, Mason, Philip E., Jungwirth, Pavel

Journal:

The Journal of Physical Chemistry Letters

Année:

2015

Langue:

english

Fichier:

PDF, 1.30 MB

english, 2015

13

A national discovery and loss of a landscape – photographic images of the Curonian Spit

Pluharova-Grigiene, Eva

Journal:

National Identities

Année:

2015

Langue:

english

Fichier:

PDF, 382 KB

english, 2015

14

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

Année:

2015

Langue:

english

Fichier:

PDF, 358 KB

english, 2015

15

Dependence of the Rate of LiF Ion-Pairing on the Description of Molecular Interaction

Pluhařová, Eva, Baer, Marcel D., Schenter, Gregory K., Jungwirth, Pavel, Mundy, Christopher J.

Journal:

Journal of Physical Chemistry B

Année:

2015

Langue:

english

Fichier:

PDF, 1.19 MB

english, 2015

16

Size and Origins of Long-Range Orientational Water Correlations in Dilute Aqueous Salt Solutions

Pluhařová, Eva, Laage, Damien, Jungwirth, Pavel

Journal:

The Journal of Physical Chemistry Letters

Année:

2017

Langue:

english

Fichier:

PDF, 793 KB

english, 2017

17

Coupled Valence-Bond State Molecular Dynamics Description of an Enzyme-Catalyzed Reaction in a Non-Aqueous Organic Solvent

Duboué-Dijon, Elise, Pluhařová, Eva, Domin, Dominik, Sen, Kakali, Fogarty, Aoife C., Chéron, Nicolas, Laage, Damien

Journal:

Journal of Physical Chemistry B

Année:

2017

Langue:

english

Fichier:

PDF, 1.18 MB

english, 2017

18

Calcium ions in aqueous solutions: Accurate force field description aided by ab initio molecular dynamics and neutron scattering

Martinek, Tomas, Duboué-Dijon, Elise, Timr, Štěpán, Mason, Philip E., Baxová, Katarina, Fischer, Henry E., Schmidt, Burkhard, Pluhařová, Eva, Jungwirth, Pavel

Journal:

The Journal of Chemical Physics

Année:

2018

Langue:

english

Fichier:

PDF, 2.18 MB

english, 2018

19

Rapid Water Transport through Organic Layers on Ice

Kong, Xiangrui, Toubin, Céline, Habartova, Alena, Pluharova, Eva, Roeselova, Martina, Pettersson, Jan B. C.

Journal:

Journal of Physical Chemistry A

Année:

2018

Langue:

english

Fichier:

PDF, 1.26 MB

english, 2018

20

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

Année:

2018

Langue:

english

Fichier:

PDF, 4.38 MB

english, 2018

21

Understanding structure and dynamics of organic liquid mixtures by molecular simulations

Vokáčová, Zuzana Sochorová, Pluhařová, Eva

Journal:

Journal of Molecular Liquids

Année:

2019

Langue:

english

Fichier:

PDF, 1.28 MB

english, 2019

22

Proton Transfer Reactions Between Methanol and Formic Acid Deposited on Free Ar N Nanoparticles

Pysanenko, Andriy, Gamez, Francisco, Farnikova, Karolina, Pluharova, Eva, Fárník, Michal

Journal:

Journal of Physical Chemistry A

Année:

2019

Langue:

english

Fichier:

PDF, 1.10 MB

english, 2019

23

Proton Transfer Reactions Between Methanol and Formic Acid Deposited on Free Ar N Nanoparticles

Pysanenko, Andriy, Gamez, Francisco, Farnikova, Karolina, Pluharova, Eva, Fárník, Michal

Journal:

Journal of Physical Chemistry A

Année:

2019

Fichier:

PDF, 1.10 MB

2019

24

On Protein Preferential Solvation in Water:Glycerol Mixtures

ChÃ©ron, Nicolas, Naepels, Margaux, Pluharova, Eva, Laage, Damien

Journal:

Journal of Physical Chemistry B

Année:

2020

Langue:

english

Fichier:

PDF, 9.04 MB

english, 2020

25

Oxidation Enhances Aerosol Nucleation: Measurement of Kinetic Pickup Probability of Organic Molecules on Hydrated Acid Clusters

Lengyel, Jozef, Pysanenko, Andriy, Farnikova, Karolina, Pluharova, Eva, FÃ¡rnÃk, Michal

Journal:

The Journal of Physical Chemistry Letters

Année:

2020

Langue:

english

Fichier:

PDF, 785 KB

english, 2020