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Kersti Hermansson

Showing results (1-10 of 67) with videos related to

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The Journal of Chemical Physics|July 23, 2004
Many-body potentials for aqueous Li(+), Na(+), Mg(2+), and Al(3+): comparison of effective three-body potentials and polarizable modelsDaniel Spångberg, Kersti Hermansson
The Journal of Physical Chemistry. A|July 13, 2006
Using MD snapshots in ab initio and DFT calculations: OH vibrations in the first hydration shell around Li+(aq)Ljupco Pejov, Daniel Spångberg, Kersti Hermansson
Chemsuschem|September 19, 2025
<sup>7</sup>Li NMR Chemical Shifts in Battery-Relevant Electrolytes: Ligand-Induced Shifts Cancel in Both Experiment and CalculationDaniel Sethio, Philippe Bopp, Kersti Hermansson
Physical Chemistry Chemical Physics : PCCP|September 29, 2005
Distorted five-fold coordination of Cu2+(aq) from a Car-Parrinello molecular dynamics simulationSami Amira, Daniel Spångberg, Kersti Hermansson
The Journal of Chemical Physics|November 9, 2010
Al3+, Ca2+, Mg2+, and Li+ in aqueous solution: calculated first-shell anharmonic OH vibrations at 300 KLjupčo Pejov, Daniel Spångberg, Kersti Hermansson
The Journal of Chemical Physics|June 30, 2007
Oxygen vacancy formation for transient structures on the CeO2(110) surface at 300 and 750 KBjörn Herschend, Micael Baudin, Kersti Hermansson
Journal of Computational Chemistry|November 4, 2015
Treatment of delocalized electron transfer in periodic and embedded cluster DFT calculations: The case of Cu on ZnO (10(1)0)Matti Hellström, Daniel Spångberg, Kersti Hermansson
The Journal of Physical Chemistry Letters|August 19, 2015
Supercharged Low-Temperature Oxygen Storage Capacity of Ceria at the NanoscaleJolla Kullgren, Kersti Hermansson, Peter Broqvist
The Journal of Physical Chemistry. A|March 9, 2017
Interaction Energies in Complexes of Zn and Amino Acids: A Comparison of Ab Initio and Force Field Based CalculationsEmma Ahlstrand, Kersti Hermansson, Ran Friedman
Inorganic Chemistry|October 24, 2001
o-, m-, and p-Carboranes and Their Anions: Ab Initio Calculations of Structures, Electron Affinities, and AciditiesKersti Hermansson, Mark Wójcik, Stefan Sjöberg
Pageof 7

Showing results (1-10 of 67) with videos related to

Sort By:
Pageof 7
The Journal of Chemical Physics|July 23, 2004
Many-body potentials for aqueous Li(+), Na(+), Mg(2+), and Al(3+): comparison of effective three-body potentials and polarizable modelsDaniel Spångberg, Kersti Hermansson
The Journal of Physical Chemistry. A|July 13, 2006
Using MD snapshots in ab initio and DFT calculations: OH vibrations in the first hydration shell around Li+(aq)Ljupco Pejov, Daniel Spångberg, Kersti Hermansson
Chemsuschem|September 19, 2025
<sup>7</sup>Li NMR Chemical Shifts in Battery-Relevant Electrolytes: Ligand-Induced Shifts Cancel in Both Experiment and CalculationDaniel Sethio, Philippe Bopp, Kersti Hermansson
Physical Chemistry Chemical Physics : PCCP|September 29, 2005
Distorted five-fold coordination of Cu2+(aq) from a Car-Parrinello molecular dynamics simulationSami Amira, Daniel Spångberg, Kersti Hermansson
The Journal of Chemical Physics|November 9, 2010
Al3+, Ca2+, Mg2+, and Li+ in aqueous solution: calculated first-shell anharmonic OH vibrations at 300 KLjupčo Pejov, Daniel Spångberg, Kersti Hermansson
The Journal of Chemical Physics|June 30, 2007
Oxygen vacancy formation for transient structures on the CeO2(110) surface at 300 and 750 KBjörn Herschend, Micael Baudin, Kersti Hermansson
Journal of Computational Chemistry|November 4, 2015
Treatment of delocalized electron transfer in periodic and embedded cluster DFT calculations: The case of Cu on ZnO (10(1)0)Matti Hellström, Daniel Spångberg, Kersti Hermansson
The Journal of Physical Chemistry Letters|August 19, 2015
Supercharged Low-Temperature Oxygen Storage Capacity of Ceria at the NanoscaleJolla Kullgren, Kersti Hermansson, Peter Broqvist
The Journal of Physical Chemistry. A|March 9, 2017
Interaction Energies in Complexes of Zn and Amino Acids: A Comparison of Ab Initio and Force Field Based CalculationsEmma Ahlstrand, Kersti Hermansson, Ran Friedman
Inorganic Chemistry|October 24, 2001
o-, m-, and p-Carboranes and Their Anions: Ab Initio Calculations of Structures, Electron Affinities, and AciditiesKersti Hermansson, Mark Wójcik, Stefan Sjöberg
Pageof 7