Search research articles
Contact Us
Filters
Showing results (1-10 of 5) with videos related to
Page
of 1
Sort By:
Journal of Chemical Theory and Computation
|
October 2, 2018
Geometry Optimizations in a Subsystem Density Functional Theory Formalism: A Benchmark Study
Kevin Klahr, Danny Schlüns, Johannes Neugebauer
Physical Chemistry Chemical Physics : PCCP
|
December 24, 2014
Subsystem-DFT potential-energy curves for weakly interacting systems
Danny Schlüns, Kevin Klahr, Christian Mück-Lichtenfeld, et al.
Chemical Communications (Cambridge, England)
|
October 20, 2010
Intramolecular heterolytic dihydrogen cleavage by a bifunctional frustrated pyrazolylborane Lewis pair
Eileen Theuergarten, Danny Schlüns, Jörg Grunenberg, et al.
Journal of Computational Chemistry
|
December 3, 2016
Analytical gradients for subsystem density functional theory within the slater-function-based amsterdam density functional program
Danny Schlüns, Mirko Franchini, Andreas W Götz, et al.
Dalton Transactions (Cambridge, England : 2003)
|
May 17, 2012
Fixation of carbon dioxide and related small molecules by a bifunctional frustrated pyrazolylborane Lewis pair
Eileen Theuergarten, Janin Schlösser, Danny Schlüns, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
October 2, 2018
Geometry Optimizations in a Subsystem Density Functional Theory Formalism: A Benchmark Study
Kevin Klahr, Danny Schlüns, Johannes Neugebauer
Physical Chemistry Chemical Physics : PCCP
|
December 24, 2014
Subsystem-DFT potential-energy curves for weakly interacting systems
Danny Schlüns, Kevin Klahr, Christian Mück-Lichtenfeld, et al.
Chemical Communications (Cambridge, England)
|
October 20, 2010
Intramolecular heterolytic dihydrogen cleavage by a bifunctional frustrated pyrazolylborane Lewis pair
Eileen Theuergarten, Danny Schlüns, Jörg Grunenberg, et al.
Journal of Computational Chemistry
|
December 3, 2016
Analytical gradients for subsystem density functional theory within the slater-function-based amsterdam density functional program
Danny Schlüns, Mirko Franchini, Andreas W Götz, et al.
Dalton Transactions (Cambridge, England : 2003)
|
May 17, 2012
Fixation of carbon dioxide and related small molecules by a bifunctional frustrated pyrazolylborane Lewis pair
Eileen Theuergarten, Janin Schlösser, Danny Schlüns, et al.
Page
of 1