Non-Hamiltonian molecular dynamics implementation of the Gibbs ensemble method. II. Molecular liquid-vapor results for carbon dioxide
Publication Type: Journal Articles (Refereed Article)
Year of Publication: 2007
Author(s): Bratschi, Christoph, Huber, Hanspeter, Bernhardt, Debra Joy

Ground state properties of rare gas fluids and their microscopic foundations
Publication Type: Book Chapters
Year of Publication: 2005
Author(s): Bernhardt, Debra Joy, Huber, Hanspeter

Calculation of the deuteron quadrupole relaxation rate in a mixture of water and dimethyl sulfoxide
Publication Type: Journal Articles (Refereed Article)
Year of Publication: 2004
Author(s): Mueller, Markus G., Hardy, Edme H., Vogt, Patrick S., Bratschi, Christoph, Kirchner, Barbara, Huber, Hanspeter, Bernhardt, Debra Joy

Molecular dynamics and NMR parameter calculations
Publication Type: Book Chapters
Year of Publication: 2004
Author(s): Bernhardt, Debra Joy, Huber, Hanspeter

How approximate is the experimental evaluation of quadrupole coupling constants in liquids? A novel computational study
Publication Type: Journal Articles (Refereed Article)
Year of Publication: 2003
Author(s): Hardy, Edme H., Muller, Markus G., Vogt, Patrick S., Bratschi, Christoph, Kirchner, Barbara, Huber, Hanspeter, Bernhardt, Debra Joy

Is there an iceberg effect in the water/DMSO mixture? Some information from computational chemistry
Publication Type: Journal Articles (Refereed Article)
Year of Publication: 2002
Author(s): Huber, Hanspeter, Kirchner, Barbara, Bernhardt, Debra Joy

Electric field gradients are highly pair-additive
Publication Type: Journal Articles (Refereed Article)
Year of Publication: 2001
Author(s): M|ller, Markus G., Kirchner, Barbara, Vogt, Patrick S., Huber, Hanspeter, Bernhardt, Debra Joy

Is there an iceberg effect in the water/DMSO mixture? Evidence from quadrupole coupling constants
Publication Type: Conference Publications (Extract Paper)
Year of Publication: 2001
Author(s): Bernhardt, Debra Joy, Huber, Hanspeter, Kirchner, Barbara