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The Journal of Chemical Physics
|
March 15, 2013
Bond energy decomposition analysis for subsystem density functional theory
S Maya Beyhan, Andreas W Götz, Lucas Visscher
The Journal of Chemical Physics
|
June 30, 2007
Exact functional derivative of the nonadditive kinetic-energy bifunctional in the long-distance limit
Christoph R Jacob, S Maya Beyhan, Lucas Visscher
Journal of Chemical Theory and Computation
|
November 26, 2015
Performance of Kinetic Energy Functionals for Interaction Energies in a Subsystem Formulation of Density Functional Theory
Andreas W Götz, S Maya Beyhan, Lucas Visscher
The Journal of Chemical Physics
|
February 2, 2010
The weak covalent bond in NgAuF (Ng=Ar, Kr, Xe): A challenge for subsystem density functional theory
S Maya Beyhan, Andreas W Götz, Christoph R Jacob, et al.
The Journal of Physical Chemistry. A
|
February 18, 2011
Computational study on the anomalous fluorescence behavior of isoflavones
S Maya Beyhan, Andreas W Götz, Freek Ariese, et al.
Journal of Computational Chemistry
|
May 5, 2011
PyADF--a scripting framework for multiscale quantum chemistry
Christoph R Jacob, S Maya Beyhan, Rosa E Bulo, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
March 15, 2013
Bond energy decomposition analysis for subsystem density functional theory
S Maya Beyhan, Andreas W Götz, Lucas Visscher
The Journal of Chemical Physics
|
June 30, 2007
Exact functional derivative of the nonadditive kinetic-energy bifunctional in the long-distance limit
Christoph R Jacob, S Maya Beyhan, Lucas Visscher
Journal of Chemical Theory and Computation
|
November 26, 2015
Performance of Kinetic Energy Functionals for Interaction Energies in a Subsystem Formulation of Density Functional Theory
Andreas W Götz, S Maya Beyhan, Lucas Visscher
The Journal of Chemical Physics
|
February 2, 2010
The weak covalent bond in NgAuF (Ng=Ar, Kr, Xe): A challenge for subsystem density functional theory
S Maya Beyhan, Andreas W Götz, Christoph R Jacob, et al.
The Journal of Physical Chemistry. A
|
February 18, 2011
Computational study on the anomalous fluorescence behavior of isoflavones
S Maya Beyhan, Andreas W Götz, Freek Ariese, et al.
Journal of Computational Chemistry
|
May 5, 2011
PyADF--a scripting framework for multiscale quantum chemistry
Christoph R Jacob, S Maya Beyhan, Rosa E Bulo, et al.
Page
of 1