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The Journal of Physical Chemistry. A
|
November 6, 2009
On the ionization energy of HfO
Hermann Stoll, Kirk A Peterson, Jeremy M Merritt, et al.
The Journal of Physical Chemistry. A
|
November 6, 2009
Energy-consistent pseudopotentials for the 5d elements--benchmark calculations for oxides, nitrides, and Pt(2)
Benjamin Spohn, Erich Goll, Hermann Stoll, et al.
Angewandte Chemie (International Ed. in English)
|
July 10, 2019
Correspondence on "Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon"
László von Szentpály, W H Eugen Schwarz, Hermann Stoll, et al.
The Journal of Chemical Physics
|
November 23, 2015
Transferability and accuracy by combining dispersionless density functional and incremental post-Hartree-Fock theories: Noble gases adsorption on coronene/graphene/graphite surfaces
María Pilar de Lara-Castells, Massimiliano Bartolomei, Alexander O Mitrushchenkov, et al.
The Journal of Chemical Physics
|
January 22, 2008
On the performance of two-component energy-consistent pseudopotentials in atomic Fock-space coupled cluster calculations
Detlev Figgen, Anja Wedig, Hermann Stoll, et al.
The Journal of Chemical Physics
|
September 18, 2007
Calculated spectroscopic and electric properties of the alkali metal-ammonia complexes from Kn-NH3 to Frn-NH3 (n=0,+1)
Ivan S Lim, Peter Botschwina, Rainer Oswald, et al.
Inorganic Chemistry
|
June 19, 1996
CpIr(dab) (dab = 1,4-Bis(2,6-dimethylphenyl)-1,4-diazabutadiene): A Coordinatively Unsaturated Six-pi-Electron Metallaheteroaromatic Compound?
Stefan Greulich, Wolfgang Kaim, Andreas F. Stange, et al.
Dalton Transactions (Cambridge, England : 2003)
|
November 13, 2004
Reduced and excited states of the intermediates (alpha-diimine)(C5R5)Rh in hydride transfer catalysis schemes: EPR and resonance Raman spectroscopy, and comparative DFT calculations of Co, Rh and Ir analogues
Monika Sieger, Wolfgang Kaim, Derk J Stufkens, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes
Erich Goll, Thierry Leininger, Frederick R Manby, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2010
Adsorption of dioxygen to copper in CuHY zeolite
Shampa Santra, Tanja Archipov, Augusta B Ene, et al.
Page
of 7
Search research articles
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Showing results (31-40 of 64) with videos related to
Sort By:
Page
of 7
The Journal of Physical Chemistry. A
|
November 6, 2009
On the ionization energy of HfO
Hermann Stoll, Kirk A Peterson, Jeremy M Merritt, et al.
The Journal of Physical Chemistry. A
|
November 6, 2009
Energy-consistent pseudopotentials for the 5d elements--benchmark calculations for oxides, nitrides, and Pt(2)
Benjamin Spohn, Erich Goll, Hermann Stoll, et al.
Angewandte Chemie (International Ed. in English)
|
July 10, 2019
Correspondence on "Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon"
László von Szentpály, W H Eugen Schwarz, Hermann Stoll, et al.
The Journal of Chemical Physics
|
November 23, 2015
Transferability and accuracy by combining dispersionless density functional and incremental post-Hartree-Fock theories: Noble gases adsorption on coronene/graphene/graphite surfaces
María Pilar de Lara-Castells, Massimiliano Bartolomei, Alexander O Mitrushchenkov, et al.
The Journal of Chemical Physics
|
January 22, 2008
On the performance of two-component energy-consistent pseudopotentials in atomic Fock-space coupled cluster calculations
Detlev Figgen, Anja Wedig, Hermann Stoll, et al.
The Journal of Chemical Physics
|
September 18, 2007
Calculated spectroscopic and electric properties of the alkali metal-ammonia complexes from Kn-NH3 to Frn-NH3 (n=0,+1)
Ivan S Lim, Peter Botschwina, Rainer Oswald, et al.
Inorganic Chemistry
|
June 19, 1996
CpIr(dab) (dab = 1,4-Bis(2,6-dimethylphenyl)-1,4-diazabutadiene): A Coordinatively Unsaturated Six-pi-Electron Metallaheteroaromatic Compound?
Stefan Greulich, Wolfgang Kaim, Andreas F. Stange, et al.
Dalton Transactions (Cambridge, England : 2003)
|
November 13, 2004
Reduced and excited states of the intermediates (alpha-diimine)(C5R5)Rh in hydride transfer catalysis schemes: EPR and resonance Raman spectroscopy, and comparative DFT calculations of Co, Rh and Ir analogues
Monika Sieger, Wolfgang Kaim, Derk J Stufkens, et al.
Physical Chemistry Chemical Physics : PCCP
|
June 7, 2008
Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes
Erich Goll, Thierry Leininger, Frederick R Manby, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 8, 2010
Adsorption of dioxygen to copper in CuHY zeolite
Shampa Santra, Tanja Archipov, Augusta B Ene, et al.
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of 7