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Journal of Computational Chemistry
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May 14, 2008
Cohesive properties of CeN and LaN from first principles
Elena Voloshina, Beate Paulus
Journal of Computational Chemistry
|
January 31, 2019
Density Functional Theory Calculations of Structural, Electronic, and Magnetic Properties of the 3d Metal Trifluorides MF<sub>3</sub> (M = Ti-Ni) in the Solid State
Stefan Mattsson, Beate Paulus
Chemical Physics Letters
|
November 13, 2010
A comparative electron correlation treatment in H(2)S-benzene dimer with DFT and wavefunction-based ab initio methods
Yixuan Wang, Beate Paulus
Journal of Computational Chemistry
|
March 20, 2013
Multireference calculations for ring inversion and double bond shifting in cyclooctatetraene
Axel Schild, Beate Paulus
Physical Chemistry Chemical Physics : PCCP
|
February 13, 2020
A theoretical study on the binding and electrolytic splitting of hydrogen fluoride on Ni(111) and Ni(211)
Stefan Mattsson, Beate Paulus
Physical Chemistry Chemical Physics : PCCP
|
March 1, 2012
Wavefunction-based electron correlation methods for solids
Carsten Müller, Beate Paulus
Materials (Basel, Switzerland)
|
May 11, 2024
First-Principles Study of Adsorption of CH<sub>4</sub> on a Fluorinated Model NiF<sub>2</sub> Surface
Tilen Lindič, Beate Paulus
Nanomaterials (Basel, Switzerland)
|
January 11, 2022
Edge Effect in Electronic and Transport Properties of 1D Fluorinated Graphene Materials
Jingjing Shao, Beate Paulus
The Journal of Chemical Physics
|
July 11, 2006
Influence of electronic correlations on the ground-state properties of cerium dioxide
Elena Voloshina, Beate Paulus
Nanomaterials (Basel, Switzerland)
|
January 21, 2023
Cluster Formation Effect of Water on Pristine and Defective MoS<sub>2</sub> Monolayers
Kangli Wang, Beate Paulus
Page
of 12
Search research articles
Search
Showing results (1-10 of 117) with videos related to
Sort By:
Page
of 12
Journal of Computational Chemistry
|
May 14, 2008
Cohesive properties of CeN and LaN from first principles
Elena Voloshina, Beate Paulus
Journal of Computational Chemistry
|
January 31, 2019
Density Functional Theory Calculations of Structural, Electronic, and Magnetic Properties of the 3d Metal Trifluorides MF<sub>3</sub> (M = Ti-Ni) in the Solid State
Stefan Mattsson, Beate Paulus
Chemical Physics Letters
|
November 13, 2010
A comparative electron correlation treatment in H(2)S-benzene dimer with DFT and wavefunction-based ab initio methods
Yixuan Wang, Beate Paulus
Journal of Computational Chemistry
|
March 20, 2013
Multireference calculations for ring inversion and double bond shifting in cyclooctatetraene
Axel Schild, Beate Paulus
Physical Chemistry Chemical Physics : PCCP
|
February 13, 2020
A theoretical study on the binding and electrolytic splitting of hydrogen fluoride on Ni(111) and Ni(211)
Stefan Mattsson, Beate Paulus
Physical Chemistry Chemical Physics : PCCP
|
March 1, 2012
Wavefunction-based electron correlation methods for solids
Carsten Müller, Beate Paulus
Materials (Basel, Switzerland)
|
May 11, 2024
First-Principles Study of Adsorption of CH<sub>4</sub> on a Fluorinated Model NiF<sub>2</sub> Surface
Tilen Lindič, Beate Paulus
Nanomaterials (Basel, Switzerland)
|
January 11, 2022
Edge Effect in Electronic and Transport Properties of 1D Fluorinated Graphene Materials
Jingjing Shao, Beate Paulus
The Journal of Chemical Physics
|
July 11, 2006
Influence of electronic correlations on the ground-state properties of cerium dioxide
Elena Voloshina, Beate Paulus
Nanomaterials (Basel, Switzerland)
|
January 21, 2023
Cluster Formation Effect of Water on Pristine and Defective MoS<sub>2</sub> Monolayers
Kangli Wang, Beate Paulus
Page
of 12