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Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 10, 2011
Time dependent density functional theory with DMol3
B Delley
The Journal of Physical Chemistry. A
|
December 15, 2006
Ground-state enthalpies: evaluation of electronic structure approaches with emphasis on the density functional method
B Delley
Physical Review Letters
|
October 3, 2001
Point defects, ferromagnetism, and transport in calcium hexaboride
R Monnier, B Delley
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
September 2, 2011
DFT study on magnetic interaction in an orbitally degenerate Ti3+ dimer complex
H Suzuki, B Delley, C Satoko
The Journal of Physical Chemistry. A
|
October 2, 2010
Ab initio calculation of resonance Raman cross sections based on excited state geometry optimization
J F Gaff, S Franzen, B Delley
Physical Chemistry Chemical Physics : PCCP
|
August 21, 2014
The coupling of tautomerization to hydration in the transition state on the pyrimidine photohydration reaction path
S Franzen, B Skalski, L Bartolotti, et al.
Physical Review Letters
|
June 13, 2002
Tailoring confining barriers for surface states by step decoration: CO /vicinal Cu(111)
F Baumberger, T Greber, B Delley, et al.
The Journal of Physical Chemistry. B
|
May 29, 2012
A resonance Raman enhancement mechanism for axial vibrational modes in the pyridine adduct of myoglobin proximal cavity mutant (H93G)
Stefan Franzen, Derek Brown, John Gaff, et al.
The Journal of Chemical Physics
|
August 13, 2005
Comment on "Theoretical study of the photoinduced transfer among the ground state and two metastable states in [Fe(CN)5NO]2-" [J. Chem. Phys. 122, 074314 (2005)]
D Schaniel, Th Woike, B Delley, et al.
The Journal of Chemical Physics
|
July 23, 2004
Ozone adsorption on carbon nanotubes: the role of Stone-Wales defects
S Picozzi, S Santucci, L Lozzi, et al.
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of 3
Search research articles
Search
Showing results (1-10 of 23) with videos related to
Sort By:
Page
of 3
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
March 10, 2011
Time dependent density functional theory with DMol3
B Delley
The Journal of Physical Chemistry. A
|
December 15, 2006
Ground-state enthalpies: evaluation of electronic structure approaches with emphasis on the density functional method
B Delley
Physical Review Letters
|
October 3, 2001
Point defects, ferromagnetism, and transport in calcium hexaboride
R Monnier, B Delley
Journal of Physics. Condensed Matter : an Institute of Physics Journal
|
September 2, 2011
DFT study on magnetic interaction in an orbitally degenerate Ti3+ dimer complex
H Suzuki, B Delley, C Satoko
The Journal of Physical Chemistry. A
|
October 2, 2010
Ab initio calculation of resonance Raman cross sections based on excited state geometry optimization
J F Gaff, S Franzen, B Delley
Physical Chemistry Chemical Physics : PCCP
|
August 21, 2014
The coupling of tautomerization to hydration in the transition state on the pyrimidine photohydration reaction path
S Franzen, B Skalski, L Bartolotti, et al.
Physical Review Letters
|
June 13, 2002
Tailoring confining barriers for surface states by step decoration: CO /vicinal Cu(111)
F Baumberger, T Greber, B Delley, et al.
The Journal of Physical Chemistry. B
|
May 29, 2012
A resonance Raman enhancement mechanism for axial vibrational modes in the pyridine adduct of myoglobin proximal cavity mutant (H93G)
Stefan Franzen, Derek Brown, John Gaff, et al.
The Journal of Chemical Physics
|
August 13, 2005
Comment on "Theoretical study of the photoinduced transfer among the ground state and two metastable states in [Fe(CN)5NO]2-" [J. Chem. Phys. 122, 074314 (2005)]
D Schaniel, Th Woike, B Delley, et al.
The Journal of Chemical Physics
|
July 23, 2004
Ozone adsorption on carbon nanotubes: the role of Stone-Wales defects
S Picozzi, S Santucci, L Lozzi, et al.
Page
of 3