Search research articles
Contact Us
Filters
Showing results (31-40 of 164) with videos related to
Page
of 17
Sort By:
Journal of Chemical Theory and Computation
|
May 16, 2022
Efficient Calculation of Magnetic Circular Dichroism Spectra Using Spin-Noncollinear Linear-Response Time-Dependent Density Functional Theory in Finite Magnetic Fields
Ansgar Pausch, Christof Holzer, Wim Klopper
Journal of Chemical Theory and Computation
|
March 3, 2018
Accuracy Assessment of GW Starting Points for Calculating Molecular Excitation Energies Using the Bethe-Salpeter Formalism
Xin Gui, Christof Holzer, Wim Klopper
The Journal of Chemical Physics
|
June 25, 2005
Analytic calculation of first-order molecular properties at the explicitly correlated second-order Moller-Plesset level: basis-set limits for the molecular quadrupole moments of BH and HF
Elena Kordel, Cristian Villani, Wim Klopper
Chemical Communications (Cambridge, England)
|
January 17, 2018
Ge<sub>12</sub>{Fe(CO)<sub>3</sub>}<sub>8</sub>(μ-I)<sub>4</sub>: a germanium-iron cluster with Ge<sub>4</sub>, Ge<sub>2</sub> and Ge units
Silke Wolf, Wim Klopper, Claus Feldmann
Angewandte Chemie (International Ed. in English)
|
January 17, 2009
Pentagerma[1.1.1]propellane: a combined experimental and quantum chemical study on the nature of the interactions between the bridgehead atoms
Dominik Nied, Wim Klopper, Frank Breher
The Journal of Chemical Physics
|
September 14, 2013
Robust fitting techniques in the chain of spheres approximation to the Fock exchange: The role of the complementary space
Róbert Izsák, Frank Neese, Wim Klopper
The Journal of Chemical Physics
|
April 15, 2023
Natural virtual orbitals for the GW method in the random-phase approximation and beyond
Laurenz Monzel, Christof Holzer, Wim Klopper
Physical Chemistry Chemical Physics : PCCP
|
October 27, 2006
Basis-set extensions for two-component spin-orbit treatments of heavy elements
Markus K Armbruster, Wim Klopper, Florian Weigend
The Journal of Chemical Physics
|
December 3, 2008
Low energy hydrogenation products of extended pi systems CnH2x: a density functional theory search strategy, benchmarked against CCSD(T), and applied to C60
Angela Bihlmeier, David P Tew, Wim Klopper
The Journal of Chemical Physics
|
July 20, 2006
A second-quantization framework for the unified treatment of relativistic and nonrelativistic molecular perturbations by response theory
Trygve Helgaker, Alf Christian Hennum, Wim Klopper
Page
of 17
Search research articles
Search
Showing results (31-40 of 164) with videos related to
Sort By:
Page
of 17
Journal of Chemical Theory and Computation
|
May 16, 2022
Efficient Calculation of Magnetic Circular Dichroism Spectra Using Spin-Noncollinear Linear-Response Time-Dependent Density Functional Theory in Finite Magnetic Fields
Ansgar Pausch, Christof Holzer, Wim Klopper
Journal of Chemical Theory and Computation
|
March 3, 2018
Accuracy Assessment of GW Starting Points for Calculating Molecular Excitation Energies Using the Bethe-Salpeter Formalism
Xin Gui, Christof Holzer, Wim Klopper
The Journal of Chemical Physics
|
June 25, 2005
Analytic calculation of first-order molecular properties at the explicitly correlated second-order Moller-Plesset level: basis-set limits for the molecular quadrupole moments of BH and HF
Elena Kordel, Cristian Villani, Wim Klopper
Chemical Communications (Cambridge, England)
|
January 17, 2018
Ge<sub>12</sub>{Fe(CO)<sub>3</sub>}<sub>8</sub>(μ-I)<sub>4</sub>: a germanium-iron cluster with Ge<sub>4</sub>, Ge<sub>2</sub> and Ge units
Silke Wolf, Wim Klopper, Claus Feldmann
Angewandte Chemie (International Ed. in English)
|
January 17, 2009
Pentagerma[1.1.1]propellane: a combined experimental and quantum chemical study on the nature of the interactions between the bridgehead atoms
Dominik Nied, Wim Klopper, Frank Breher
The Journal of Chemical Physics
|
September 14, 2013
Robust fitting techniques in the chain of spheres approximation to the Fock exchange: The role of the complementary space
Róbert Izsák, Frank Neese, Wim Klopper
The Journal of Chemical Physics
|
April 15, 2023
Natural virtual orbitals for the GW method in the random-phase approximation and beyond
Laurenz Monzel, Christof Holzer, Wim Klopper
Physical Chemistry Chemical Physics : PCCP
|
October 27, 2006
Basis-set extensions for two-component spin-orbit treatments of heavy elements
Markus K Armbruster, Wim Klopper, Florian Weigend
The Journal of Chemical Physics
|
December 3, 2008
Low energy hydrogenation products of extended pi systems CnH2x: a density functional theory search strategy, benchmarked against CCSD(T), and applied to C60
Angela Bihlmeier, David P Tew, Wim Klopper
The Journal of Chemical Physics
|
July 20, 2006
A second-quantization framework for the unified treatment of relativistic and nonrelativistic molecular perturbations by response theory
Trygve Helgaker, Alf Christian Hennum, Wim Klopper
Page
of 17