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Physical Review Letters
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June 1, 2004
"Hot-atom" O2 dissociation and oxide nucleation on Al(111)
Lucio Colombi Ciacchi, Mike C Payne
Physical Review Letters
|
December 31, 2005
First-principles molecular-dynamics study of native oxide growth on Si(001)
Lucio Colombi Ciacchi, Mike C Payne
The Journal of Physical Chemistry. B
|
June 15, 2013
Assessing the accuracy of inhomogeneous fluid solvation theory in predicting hydration free energies of simple solutes
David J Huggins, Mike C Payne
ACS Nano
|
December 22, 2010
Magnetic response of single-walled carbon nanotubes induced by an external magnetic field
Mikhail Kibalchenko, Mike C Payne, Jonathan R Yates
Journal of Chemical Theory and Computation
|
February 21, 2014
Thermodynamic Properties of Water Molecules at a Protein-Protein Interaction Surface
David J Huggins, May Marsh, Mike C Payne
The Journal of Physical Chemistry Letters
|
August 20, 2015
Ligand Discrimination in Myoglobin from Linear-Scaling DFT+U
Daniel J Cole, David D O'Regan, Mike C Payne
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2009
Water structuring and collagen adsorption at hydrophilic and hydrophobic silicon surfaces
Daniel J Cole, Mike C Payne, Lucio Colombi Ciacchi
Physical Review Letters
|
May 21, 2010
Gaussian approximation potentials: the accuracy of quantum mechanics, without the electrons
Albert P Bartók, Mike C Payne, Risi Kondor, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 7, 2005
A novel quantum/classical hybrid simulation technique
Mike C Payne, Gábor Csányi, Tristan Albaret, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
April 11, 2014
Renormalization of myoglobin-ligand binding energetics by quantum many-body effects
Cédric Weber, Daniel J Cole, David D O'Regan, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 36) with videos related to
Sort By:
Page
of 4
Physical Review Letters
|
June 1, 2004
"Hot-atom" O2 dissociation and oxide nucleation on Al(111)
Lucio Colombi Ciacchi, Mike C Payne
Physical Review Letters
|
December 31, 2005
First-principles molecular-dynamics study of native oxide growth on Si(001)
Lucio Colombi Ciacchi, Mike C Payne
The Journal of Physical Chemistry. B
|
June 15, 2013
Assessing the accuracy of inhomogeneous fluid solvation theory in predicting hydration free energies of simple solutes
David J Huggins, Mike C Payne
ACS Nano
|
December 22, 2010
Magnetic response of single-walled carbon nanotubes induced by an external magnetic field
Mikhail Kibalchenko, Mike C Payne, Jonathan R Yates
Journal of Chemical Theory and Computation
|
February 21, 2014
Thermodynamic Properties of Water Molecules at a Protein-Protein Interaction Surface
David J Huggins, May Marsh, Mike C Payne
The Journal of Physical Chemistry Letters
|
August 20, 2015
Ligand Discrimination in Myoglobin from Linear-Scaling DFT+U
Daniel J Cole, David D O'Regan, Mike C Payne
Physical Chemistry Chemical Physics : PCCP
|
December 22, 2009
Water structuring and collagen adsorption at hydrophilic and hydrophobic silicon surfaces
Daniel J Cole, Mike C Payne, Lucio Colombi Ciacchi
Physical Review Letters
|
May 21, 2010
Gaussian approximation potentials: the accuracy of quantum mechanics, without the electrons
Albert P Bartók, Mike C Payne, Risi Kondor, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
September 7, 2005
A novel quantum/classical hybrid simulation technique
Mike C Payne, Gábor Csányi, Tristan Albaret, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
April 11, 2014
Renormalization of myoglobin-ligand binding energetics by quantum many-body effects
Cédric Weber, Daniel J Cole, David D O'Regan, et al.
Page
of 4