Search research articles
Contact Us
Filters
Showing results (1-10 of 11) with videos related to
Page
of 2
Sort By:
Journal of Chemical Theory and Computation
|
June 13, 2017
Arbitrary Angular Momentum Electron Repulsion Integrals with Graphical Processing Units: Application to the Resolution of Identity Hartree-Fock Method
Jaroslaw Kalinowski, Frank Wennmohs, Frank Neese
The Journal of Chemical Physics
|
March 26, 2009
Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method
Frank Neese, Frank Wennmohs, Andreas Hansen
Inorganic Chemistry
|
September 27, 2018
Chemical Tuning of Magnetic Exchange Couplings Using Broken-Symmetry Density Functional Theory
Grégoire David, Frank Wennmohs, Frank Neese, et al.
The Journal of Chemical Physics
|
June 15, 2020
The ORCA quantum chemistry program package
Frank Neese, Frank Wennmohs, Ute Becker, et al.
Accounts of Chemical Research
|
March 20, 2009
Accurate theoretical chemistry with coupled pair models
Frank Neese, Andreas Hansen, Frank Wennmohs, et al.
Journal of Structural Biology
|
March 17, 2009
Structure-activity relationships of a caged thrombin binding DNA aptamer: insight gained from molecular dynamics simulation studies
Prabha Jayapal, Günter Mayer, Alexander Heckel, et al.
Current Opinion in Chemical Biology
|
March 14, 2007
Theoretical bioinorganic chemistry: the electronic structure makes a difference
Barbara Kirchner, Frank Wennmohs, Shengfa Ye, et al.
Journal of Chemical Theory and Computation
|
August 7, 2025
Broadening the Scope of the ETS-NOCV Scheme: A Versatile Implementation in ORCA
Ronald Cárdenas Sabando, Christoph Riplinger, Frank Wennmohs, et al.
The Journal of Physical Chemistry. A
|
March 3, 2025
The "Bubblepole" (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting
Frank Neese, Pauline Colinet, Bernardo DeSouza, et al.
Inorganic Chemistry
|
June 25, 2015
Free reaction enthalpy profile of the Schrock cycle derived from density functional theory calculations on the full [Mo(HIPT)N3N] catalyst
Wulf Thimm, Christian Gradert, Henning Broda, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
June 13, 2017
Arbitrary Angular Momentum Electron Repulsion Integrals with Graphical Processing Units: Application to the Resolution of Identity Hartree-Fock Method
Jaroslaw Kalinowski, Frank Wennmohs, Frank Neese
The Journal of Chemical Physics
|
March 26, 2009
Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method
Frank Neese, Frank Wennmohs, Andreas Hansen
Inorganic Chemistry
|
September 27, 2018
Chemical Tuning of Magnetic Exchange Couplings Using Broken-Symmetry Density Functional Theory
Grégoire David, Frank Wennmohs, Frank Neese, et al.
The Journal of Chemical Physics
|
June 15, 2020
The ORCA quantum chemistry program package
Frank Neese, Frank Wennmohs, Ute Becker, et al.
Accounts of Chemical Research
|
March 20, 2009
Accurate theoretical chemistry with coupled pair models
Frank Neese, Andreas Hansen, Frank Wennmohs, et al.
Journal of Structural Biology
|
March 17, 2009
Structure-activity relationships of a caged thrombin binding DNA aptamer: insight gained from molecular dynamics simulation studies
Prabha Jayapal, Günter Mayer, Alexander Heckel, et al.
Current Opinion in Chemical Biology
|
March 14, 2007
Theoretical bioinorganic chemistry: the electronic structure makes a difference
Barbara Kirchner, Frank Wennmohs, Shengfa Ye, et al.
Journal of Chemical Theory and Computation
|
August 7, 2025
Broadening the Scope of the ETS-NOCV Scheme: A Versatile Implementation in ORCA
Ronald Cárdenas Sabando, Christoph Riplinger, Frank Wennmohs, et al.
The Journal of Physical Chemistry. A
|
March 3, 2025
The "Bubblepole" (BUPO) Method for Linear-Scaling Coulomb Matrix Construction with or without Density Fitting
Frank Neese, Pauline Colinet, Bernardo DeSouza, et al.
Inorganic Chemistry
|
June 25, 2015
Free reaction enthalpy profile of the Schrock cycle derived from density functional theory calculations on the full [Mo(HIPT)N3N] catalyst
Wulf Thimm, Christian Gradert, Henning Broda, et al.
Page
of 2