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Daniel Spångberg

Showing results (1-10 of 17) with videos related to

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Journal of Computational Chemistry|May 16, 2015
Calculation of the stability of nonperiodic solids using classical force fields and the method of increments: N2O as an exampleCarsten Müller, Daniel Spångberg
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 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
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. 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
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|March 18, 2006
OD vibrations and hydration structure in an Al3+ (aq) solution from a Car-Parrinello molecular-dynamics simulationSami Amira, Daniel Spångberg, Kersti Hermansson
Journal of Chemical Theory and Computation|November 20, 2015
Band-Filling Correction Method for Accurate Adsorption Energy Calculations: A Cu/ZnO Case StudyMatti Hellström, Daniel Spångberg, Kersti Hermansson, et al.
Journal of Molecular Modeling|January 27, 2011
Trajectory NG: portable, compressed, general molecular dynamics trajectoriesDaniel Spångberg, Daniel S D Larsson, David van der Spoel
The Journal of Physical Chemistry. B|July 21, 2006
Car-Parrinello molecular dynamics simulation of Fe 3+ (aq)Sami Amira, Daniel Spångberg, Viktor Zelin, et al.
Pageof 2

Showing results (1-10 of 17) with videos related to

Sort By:
Pageof 2
Journal of Computational Chemistry|May 16, 2015
Calculation of the stability of nonperiodic solids using classical force fields and the method of increments: N2O as an exampleCarsten Müller, Daniel Spångberg
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 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
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. 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
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|March 18, 2006
OD vibrations and hydration structure in an Al3+ (aq) solution from a Car-Parrinello molecular-dynamics simulationSami Amira, Daniel Spångberg, Kersti Hermansson
Journal of Chemical Theory and Computation|November 20, 2015
Band-Filling Correction Method for Accurate Adsorption Energy Calculations: A Cu/ZnO Case StudyMatti Hellström, Daniel Spångberg, Kersti Hermansson, et al.
Journal of Molecular Modeling|January 27, 2011
Trajectory NG: portable, compressed, general molecular dynamics trajectoriesDaniel Spångberg, Daniel S D Larsson, David van der Spoel
The Journal of Physical Chemistry. B|July 21, 2006
Car-Parrinello molecular dynamics simulation of Fe 3+ (aq)Sami Amira, Daniel Spångberg, Viktor Zelin, et al.
Pageof 2