E-LIB Suche - Ergebnisse für: Walz, Marie-Madeleine

1

An Imbalance in the Force: The Need for Standardized Benchm..:

Kříž, Kristian ; Schmidt, Lisa ; Andersson, Alfred T...
Journal of Chemical Information and Modeling. 63 (2023) 2 - p. 412-431 , 2023

Link: https://doi.org/10.1021/..

2

Probing Phase Transitions in Organic Crystals Using Atomist..:

Schmidt, Lisa ; van der Spoel, David ; Walz, Marie-Madeleine
ACS Physical Chemistry Au. 3 (2022) 1 - p. 84-93 , 2022

Link: https://doi.org/10.1021/..

3

Microscopic origins of conductivity in molten salts unravel..:

Walz, Marie-Madeleine ; van der Spoel, David
Communications Chemistry. 4 (2021) 1 - p. , 2021

Link: https://doi.org/10.1038/..

4

Direct Link between Structure, Dynamics, and Thermodynamics..:

Walz, Marie-Madeleine ; van der Spoel, David
The Journal of Physical Chemistry C. 123 (2019) 42 - p. 25596-25602 , 2019

Link: https://doi.org/10.1021/..

5

Molten alkali halides – temperature dependence of structure..:

Walz, Marie-Madeleine ; van der Spoel, David
Physical Chemistry Chemical Physics. 21 (2019) 34 - p. 18516-18524 , 2019

Link: https://doi.org/10.1039/..

6

Systematically improved melting point prediction: a detaile..:

Walz, Marie-Madeleine ; van der Spoel, David
Chemical Communications. 55 (2019) 80 - p. 12044-12047 , 2019

Link: https://doi.org/10.1039/..

7

Anomalous surface behavior of hydrated guanidinium ions due..:

Ekholm, Victor ; Vazdar, Mario ; Mason, Philip E....
The Journal of Chemical Physics. 148 (2018) 14 - p. , 2018

Link: https://doi.org/10.1063/..

8

Strong enrichment of atmospherically relevant organic ions ..:

Ekholm, Victor ; Caleman, Carl ; Bjärnhall Prytz, Nicklas...
Physical Chemistry Chemical Physics. 20 (2018) 42 - p. 27185-27191 , 2018

Link: https://doi.org/10.1039/..

9

Shifted equilibria of organic acids and bases in the aqueou..:

Werner, Josephina ; Persson, Ingmar ; Björneholm, Olle...
Physical Chemistry Chemical Physics. 20 (2018) 36 - p. 23281-23293 , 2018

Link: https://doi.org/10.1039/..

10

Phase-Transferable Force Field for Alkali Halides:

Walz, Marie-Madeleine ; Ghahremanpour, Mohammad M. ; van Maaren, Paul J..
Journal of Chemical Theory and Computation. 14 (2018) 11 - p. 5933-5948 , 2018

Link: https://doi.org/10.1021/..

11

Ethanol Solvation in Water Studied on a Molecular Scale by ..:

Marinho, Ricardo R. T. ; Walz, Marie-Madeleine ; Ekholm, Victor...
The Journal of Physical Chemistry B. 121 (2017) 33 - p. 7916-7923 , 2017

Link: https://doi.org/10.1021/..

12

Water at Interfaces:

Björneholm, Olle ; Hansen, Martin H. ; Hodgson, Andrew...
Chemical Reviews. 116 (2016) 13 - p. 7698-7726 , 2016

Link: https://doi.org/10.1021/..

13

Surface Partitioning in Organic–Inorganic Mixtures Contribu..:

Werner, Josephina ; Dalirian, Maryam ; Walz, Marie-Madeleine...
Environmental Science & Technology. 50 (2016) 14 - p. 7434-7442 , 2016

Link: https://doi.org/10.1021/..

14

Acid–Base Speciation of Carboxylate Ions in the Surface Reg..:

Öhrwall, Gunnar ; Prisle, Nønne L. ; Ottosson, Niklas...
The Journal of Physical Chemistry B. 119 (2015) 10 - p. 4033-4040 , 2015

Link: https://doi.org/10.1021/..

15

Electron Beam Induced Surface Activation of Ultrathin Porph..:

Vollnhals, Florian ; Wintrich, Patrick ; Walz, Marie-Madeleine..
Langmuir. 29 (2013) 39 - p. 12290-12297 , 2013

Link: https://doi.org/10.1021/..