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The Journal of Physical Chemistry. B
|
July 21, 2006
Crystal structure and vibrational spectra of AlVO4. A DFT study
Veronika Brázdová, M Verónica Ganduglia-Pirovano, Joachim Sauer
Physical Chemistry Chemical Physics : PCCP
|
April 1, 2020
Including dispersion in density functional theory for adsorption on flat oxide surfaces, in metal-organic frameworks and in acidic zeolites
Florian R Rehak, GiovanniMaria Piccini, Maristella Alessio, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 9, 2026
CO<sub>2</sub>, N<sub>2</sub> and H<sub>2</sub> adsorption in Zn<sup>2+</sup>-containing zeolites and metal-organic frameworks
Pragnya Paramita Samal, Fabian Berger, Sailaja Krishnamurty, et al.
The Journal of Chemical Physics
|
May 12, 2009
Point defects in CaF2 and CeO2 investigated by the periodic electrostatic embedded cluster method
Asbjörn M Burow, Marek Sierka, Jens Döbler, et al.
The Journal of Physical Chemistry. A
|
October 28, 2021
The Chemical Nature of Ti<sub>4</sub>O<sub>10</sub><sup>-</sup>: Vibrational Predissociation Spectroscopy Combined with Global Structure Optimization
Fabian Müller, Joachim Sauer, Xiaowei Song, et al.
The Journal of Physical Chemistry. B
|
December 27, 2005
Vanadium oxides on aluminum oxide supports. 1. Surface termination and reducibility of vanadia films on alpha-Al2O3(0001)
Tanya K Todorova, M Veronica Ganduglia-Pirovano, Joachim Sauer
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 27, 2010
Preferential activation of primary C-H bonds in the reactions of small alkanes with the diatomic MgO(+*) cation
Detlef Schröder, Jana Roithová, Esmail Alikhani, et al.
The Journal of Chemical Physics
|
October 24, 2007
A comparison between plane wave and Gaussian-type orbital basis sets for hydrogen bonded systems: formic acid as a test case
Sergio Tosoni, Christian Tuma, Joachim Sauer, et al.
Journal of the American Chemical Society
|
October 11, 2007
Probing the electronic structure of early transition-metal oxide clusters: polyhedral cages of (V2O5)n(-) (n = 2-4) and (M2O5(2)(-) (M = Nb, Ta)
Hua-Jin Zhai, Jens Döbler, Joachim Sauer, et al.
Journal of the American Chemical Society
|
December 23, 2008
Quantum chemical modeling of zeolite-catalyzed methylation reactions: toward chemical accuracy for barriers
Stian Svelle, Christian Tuma, Xavier Rozanska, et al.
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of 14
Search research articles
Search
Showing results (51-60 of 131) with videos related to
Sort By:
Page
of 14
The Journal of Physical Chemistry. B
|
July 21, 2006
Crystal structure and vibrational spectra of AlVO4. A DFT study
Veronika Brázdová, M Verónica Ganduglia-Pirovano, Joachim Sauer
Physical Chemistry Chemical Physics : PCCP
|
April 1, 2020
Including dispersion in density functional theory for adsorption on flat oxide surfaces, in metal-organic frameworks and in acidic zeolites
Florian R Rehak, GiovanniMaria Piccini, Maristella Alessio, et al.
Physical Chemistry Chemical Physics : PCCP
|
February 9, 2026
CO<sub>2</sub>, N<sub>2</sub> and H<sub>2</sub> adsorption in Zn<sup>2+</sup>-containing zeolites and metal-organic frameworks
Pragnya Paramita Samal, Fabian Berger, Sailaja Krishnamurty, et al.
The Journal of Chemical Physics
|
May 12, 2009
Point defects in CaF2 and CeO2 investigated by the periodic electrostatic embedded cluster method
Asbjörn M Burow, Marek Sierka, Jens Döbler, et al.
The Journal of Physical Chemistry. A
|
October 28, 2021
The Chemical Nature of Ti<sub>4</sub>O<sub>10</sub><sup>-</sup>: Vibrational Predissociation Spectroscopy Combined with Global Structure Optimization
Fabian Müller, Joachim Sauer, Xiaowei Song, et al.
The Journal of Physical Chemistry. B
|
December 27, 2005
Vanadium oxides on aluminum oxide supports. 1. Surface termination and reducibility of vanadia films on alpha-Al2O3(0001)
Tanya K Todorova, M Veronica Ganduglia-Pirovano, Joachim Sauer
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
February 27, 2010
Preferential activation of primary C-H bonds in the reactions of small alkanes with the diatomic MgO(+*) cation
Detlef Schröder, Jana Roithová, Esmail Alikhani, et al.
The Journal of Chemical Physics
|
October 24, 2007
A comparison between plane wave and Gaussian-type orbital basis sets for hydrogen bonded systems: formic acid as a test case
Sergio Tosoni, Christian Tuma, Joachim Sauer, et al.
Journal of the American Chemical Society
|
October 11, 2007
Probing the electronic structure of early transition-metal oxide clusters: polyhedral cages of (V2O5)n(-) (n = 2-4) and (M2O5(2)(-) (M = Nb, Ta)
Hua-Jin Zhai, Jens Döbler, Joachim Sauer, et al.
Journal of the American Chemical Society
|
December 23, 2008
Quantum chemical modeling of zeolite-catalyzed methylation reactions: toward chemical accuracy for barriers
Stian Svelle, Christian Tuma, Xavier Rozanska, et al.
Page
of 14