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The Journal of Chemical Physics
|
May 20, 2009
Insight from first principles into the nature of the bonding between water molecules and 4d metal surfaces
Javier Carrasco, Angelos Michaelides, Matthias Scheffler
The Journal of Chemical Physics
|
November 21, 2007
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: benchmarks approaching the complete basis set limit
Biswajit Santra, Angelos Michaelides, Matthias Scheffler
The Journal of Chemical Physics
|
October 2, 2009
Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: the importance of monomer deformations
Biswajit Santra, Angelos Michaelides, Matthias Scheffler
Nature Materials
|
July 25, 2012
A molecular perspective of water at metal interfaces
Javier Carrasco, Andrew Hodgson, Angelos Michaelides
Physical Chemistry Chemical Physics : PCCP
|
November 4, 2010
Theory of gold on ceria
Changjun Zhang, Angelos Michaelides, Stephen J Jenkins
Proceedings of the National Academy of Sciences of the United States of America
|
March 26, 2021
Routes to cubic ice through heterogeneous nucleation
Michael Benedict Davies, Martin Fitzner, Angelos Michaelides
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2010
Proton transfer in adsorbed water dimers
Xiao Liang Hu, Jirí Klimes, Angelos Michaelides
The Journal of Chemical Physics
|
December 24, 2013
Understanding the role of ions and water molecules in the NaCl dissolution process
Jiří Klimeš, David R Bowler, Angelos Michaelides
Physical Chemistry Chemical Physics : PCCP
|
June 4, 2011
Initial stages of salt crystal dissolution determined with ab initio molecular dynamics
Li-Min Liu, Alessandro Laio, Angelos Michaelides
The Journal of Chemical Physics
|
June 25, 2009
Interfacial water: a first principles molecular dynamics study of a nanoscale water film on salt
Li-Min Liu, Matthias Krack, Angelos Michaelides
Page
of 20
Search research articles
Search
Showing results (21-30 of 197) with videos related to
Sort By:
Page
of 20
The Journal of Chemical Physics
|
May 20, 2009
Insight from first principles into the nature of the bonding between water molecules and 4d metal surfaces
Javier Carrasco, Angelos Michaelides, Matthias Scheffler
The Journal of Chemical Physics
|
November 21, 2007
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters: benchmarks approaching the complete basis set limit
Biswajit Santra, Angelos Michaelides, Matthias Scheffler
The Journal of Chemical Physics
|
October 2, 2009
Coupled cluster benchmarks of water monomers and dimers extracted from density-functional theory liquid water: the importance of monomer deformations
Biswajit Santra, Angelos Michaelides, Matthias Scheffler
Nature Materials
|
July 25, 2012
A molecular perspective of water at metal interfaces
Javier Carrasco, Andrew Hodgson, Angelos Michaelides
Physical Chemistry Chemical Physics : PCCP
|
November 4, 2010
Theory of gold on ceria
Changjun Zhang, Angelos Michaelides, Stephen J Jenkins
Proceedings of the National Academy of Sciences of the United States of America
|
March 26, 2021
Routes to cubic ice through heterogeneous nucleation
Michael Benedict Davies, Martin Fitzner, Angelos Michaelides
Physical Chemistry Chemical Physics : PCCP
|
April 10, 2010
Proton transfer in adsorbed water dimers
Xiao Liang Hu, Jirí Klimes, Angelos Michaelides
The Journal of Chemical Physics
|
December 24, 2013
Understanding the role of ions and water molecules in the NaCl dissolution process
Jiří Klimeš, David R Bowler, Angelos Michaelides
Physical Chemistry Chemical Physics : PCCP
|
June 4, 2011
Initial stages of salt crystal dissolution determined with ab initio molecular dynamics
Li-Min Liu, Alessandro Laio, Angelos Michaelides
The Journal of Chemical Physics
|
June 25, 2009
Interfacial water: a first principles molecular dynamics study of a nanoscale water film on salt
Li-Min Liu, Matthias Krack, Angelos Michaelides
Page
of 20