Daniel Spångberg

发表

Calculation of the stability of nonperiodic solids using classical force fields and the method of increments: N2o as an example

Carsten Müller, Daniel Spångberg, D. Spångberg, 2015, J. Comput. Chem..

Treatment of delocalized electron transfer in periodic and embedded cluster DFT calculations: The case of Cu on ZnO (10 1¯ 0)

Daniel Spångberg, Matti Hellström, Kersti Hermansson, 2015, J. Comput. Chem..

Water adsorption beyond monolayer coverage on ZnO surfaces and nanoclusters

Tomas Edvinsson, Kersti Hermansson, Daniel Spångberg, 2008, Optics + Photonics for Sustainable Energy.

Vectorized table driven algorithms for double precision elementary functions using Taylor expansions

Anders Hast, Ewert Bengtsson, Tony Barrera, 2009 .

An efficient and extensible format, library, and API for binary trajectory data from molecular simulations

Erik Lindahl, Magnus Lundborg, David van der Spoel, 2014, J. Comput. Chem..

Fitting properties from density functional theory based molecular dynamics simulations to parameterize a rigid water force field.

Marco Masia, Elvira Guàrdia, Daniel Spångberg, 2012, The Journal of chemical physics.

On the origins of core-electron chemical shifts of small biomolecules in aqueous solution: insights from photoemission and ab initio calculations of glycine(aq).

Daniel Spångberg, Niklas Ottosson, Gunnar Öhrwall, 2011, Journal of the American Chemical Society.

The solvation of Li+ and Na+ in acetonitrile from ab initio-derived many-body ion–solvent potentials

Daniel Spångberg, Kersti Hermansson, K. Hermansson, 2004 .

Water adsorption on stepped ZnO surfaces from MD simulation

William A. Goddard, Daniel Spångberg, Adri C. T. van Duin, 2010 .

Trajectory NG: portable, compressed, general molecular dynamics trajectories

Daniel S. D. Larsson, Daniel Spångberg, D. Spoel, 2011, Journal of molecular modeling.

Distorted five-fold coordination of Cu2+(aq) from a Car-Parrinello molecular dynamics simulation.

Daniel Spångberg, Kersti Hermansson, K. Hermansson, 2005, Physical chemistry chemical physics : PCCP.

Derivation and evaluation of a flexible SPC model for liquid water

Daniel Spångberg, Kersti Hermansson, K. Hermansson, 2004 .

Using MD snapshots in ab initio and DFT calculations: OH vibrations in the first hydration shell around Li+(aq).

Daniel Spångberg, Kersti Hermansson, K. Hermansson, 2005, The journal of physical chemistry. A.