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Journal of Chemical Theory and Computation
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November 25, 2015
Singular Value Decomposition for Analyzing Temperature- and Pressure-Dependent Radial Distribution Functions: Decomposition into Grund RDFs (GRDFs)
Philipp J di Dio, Martin Brehm, Barbara Kirchner
Topics in Current Chemistry
|
August 16, 2011
Real-world predictions from ab initio molecular dynamics simulations
Barbara Kirchner, Philipp J di Dio, Jürg Hutter
International Journal of Molecular Sciences
|
May 5, 2011
Comparison of free energy surfaces calculations from ab initio molecular dynamic simulations at the example of two transition metal catalyzed reactions
Marc Brüssel, Philipp J di Dio, Kilian Muñiz, et al.
Angewandte Chemie (International Ed. in English)
|
October 25, 2011
Pd-N to Pd-O rearrangement for a carbamate synthesis from carbon dioxide and methane: a density functional and ab initio molecular dynamics metadynamics study
Philipp J di Dio, Marc Brüssel, Kilian Muñiz, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 4) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
November 25, 2015
Singular Value Decomposition for Analyzing Temperature- and Pressure-Dependent Radial Distribution Functions: Decomposition into Grund RDFs (GRDFs)
Philipp J di Dio, Martin Brehm, Barbara Kirchner
Topics in Current Chemistry
|
August 16, 2011
Real-world predictions from ab initio molecular dynamics simulations
Barbara Kirchner, Philipp J di Dio, Jürg Hutter
International Journal of Molecular Sciences
|
May 5, 2011
Comparison of free energy surfaces calculations from ab initio molecular dynamic simulations at the example of two transition metal catalyzed reactions
Marc Brüssel, Philipp J di Dio, Kilian Muñiz, et al.
Angewandte Chemie (International Ed. in English)
|
October 25, 2011
Pd-N to Pd-O rearrangement for a carbamate synthesis from carbon dioxide and methane: a density functional and ab initio molecular dynamics metadynamics study
Philipp J di Dio, Marc Brüssel, Kilian Muñiz, et al.
Page
of 1