Nicola Gaston

发表

A balanced procedure for the treatment of cluster–ligand interactions on gold phosphine systems in catalysis

Doreen Mollenhauer, Nicola Gaston, N. Gaston, 2014, J. Comput. Chem..

Our bias, ourselves

Nicola Gaston, 2015 .

Towards understanding the chemical environment effect on gold-containing clusters

Doreen Mollenhauer, Nicola Gaston, 2014, Journal of Cheminformatics.

Modified Lennard‐Jones potentials for nanoscale atoms

Nicola Gaston, Celina Sikorska, N. Gaston, 2020, J. Comput. Chem..

Aluminum oxo‐fluoride clusters: A first principle investigation of stability, synthetic considerations, and the interaction with water

Beate Paulus, Nicola Gaston, Julia Schacht, 2018, J. Comput. Chem..

Understanding the hcp anisotropy in Cd and Zn: the role of electron correlation in determining the potential energy surface.

Beate Paulus, Nicola Gaston, Dirk Andrae, 2010, Physical chemistry chemical physics : PCCP.

First-principles melting of gallium clusters down to nine atoms: structural and electronic contributions to melting.

Nicola Gaston, N. Gaston, Krista G Steenbergen, 2013, Physical chemistry chemical physics : PCCP.

Lattice structure of mercury: Influence of electronic correlation

Beate Paulus, Peter Schwerdtfeger, Nicola Gaston, 2006 .

Building machine learning force fields for nanoclusters.

Nicola Gaston, Aldo Glielmo, Claudio Zeni, 2018, The Journal of chemical physics.

Convergence of the ab initio many-body expansion for the cohesive energy of solid mercury

Beate Paulus, Peter Schwerdtfeger, Nicola Gaston, 2004 .