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Journal of Computational Chemistry
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March 21, 2014
A balanced procedure for the treatment of cluster-ligand interactions on gold phosphine systems in catalysis
Doreen Mollenhauer, Nicola Gaston
Journal of Computational Chemistry
|
May 5, 2021
Uncertainty of exchange-correlation functionals in density functional theory calculations for lithium-based solid electrolytes on the case study of lithium phosphorus oxynitride
Pascal Henkel, Doreen Mollenhauer
Physical Chemistry Chemical Physics : PCCP
|
October 7, 2016
Phosphine passivated gold clusters: how charge transfer affects electronic structure and stability
Doreen Mollenhauer, Nicola Gaston
Physical Chemistry Chemical Physics : PCCP
|
September 30, 2021
Influence of the PO<sub></sub>N<sub>4-</sub> structural units on the formation energies and transport properties of lithium phosphorus oxynitride: a DFT study
Pascal Henkel, Jürgen Janek, Doreen Mollenhauer
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 24, 2016
Charge Spreading in Deep Eutectic Solvents
Stefan Zahn, Barbara Kirchner, Doreen Mollenhauer
Physical Chemistry Chemical Physics : PCCP
|
August 29, 2019
New insights into the origin of unstable sodium graphite intercalation compounds
Olena Lenchuk, Philipp Adelhelm, Doreen Mollenhauer
Journal of Computational Chemistry
|
June 30, 2019
Comparative study of density functionals for the description of lithium-graphite intercalation compounds
Olena Lenchuk, Philipp Adelhelm, Doreen Mollenhauer
Beilstein Journal of Organic Chemistry
|
July 1, 2015
First principle investigation of the linker length effects on the thermodynamics of divalent pseudorotaxanes
Andreas J Achazi, Doreen Mollenhauer, Beate Paulus
Angewandte Chemie (International Ed. in English)
|
July 8, 2009
The two structures of the hexafluorobenzene radical cation C6F6(*+)
Hashem Shorafa, Doreen Mollenhauer, Beate Paulus, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 25, 2019
Pathways to Triplet or Singlet Oxygen during the Dissociation of Alkali Metal Superoxides: Insights by Multireference Calculations of Molecular Model Systems
Aleksandr Zaichenko, Daniel Schröder, Jürgen Janek, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 40) with videos related to
Sort By:
Page
of 4
Journal of Computational Chemistry
|
March 21, 2014
A balanced procedure for the treatment of cluster-ligand interactions on gold phosphine systems in catalysis
Doreen Mollenhauer, Nicola Gaston
Journal of Computational Chemistry
|
May 5, 2021
Uncertainty of exchange-correlation functionals in density functional theory calculations for lithium-based solid electrolytes on the case study of lithium phosphorus oxynitride
Pascal Henkel, Doreen Mollenhauer
Physical Chemistry Chemical Physics : PCCP
|
October 7, 2016
Phosphine passivated gold clusters: how charge transfer affects electronic structure and stability
Doreen Mollenhauer, Nicola Gaston
Physical Chemistry Chemical Physics : PCCP
|
September 30, 2021
Influence of the PO<sub></sub>N<sub>4-</sub> structural units on the formation energies and transport properties of lithium phosphorus oxynitride: a DFT study
Pascal Henkel, Jürgen Janek, Doreen Mollenhauer
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
August 24, 2016
Charge Spreading in Deep Eutectic Solvents
Stefan Zahn, Barbara Kirchner, Doreen Mollenhauer
Physical Chemistry Chemical Physics : PCCP
|
August 29, 2019
New insights into the origin of unstable sodium graphite intercalation compounds
Olena Lenchuk, Philipp Adelhelm, Doreen Mollenhauer
Journal of Computational Chemistry
|
June 30, 2019
Comparative study of density functionals for the description of lithium-graphite intercalation compounds
Olena Lenchuk, Philipp Adelhelm, Doreen Mollenhauer
Beilstein Journal of Organic Chemistry
|
July 1, 2015
First principle investigation of the linker length effects on the thermodynamics of divalent pseudorotaxanes
Andreas J Achazi, Doreen Mollenhauer, Beate Paulus
Angewandte Chemie (International Ed. in English)
|
July 8, 2009
The two structures of the hexafluorobenzene radical cation C6F6(*+)
Hashem Shorafa, Doreen Mollenhauer, Beate Paulus, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
October 25, 2019
Pathways to Triplet or Singlet Oxygen during the Dissociation of Alkali Metal Superoxides: Insights by Multireference Calculations of Molecular Model Systems
Aleksandr Zaichenko, Daniel Schröder, Jürgen Janek, et al.
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of 4