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The Journal of Physical Chemistry. B
|
May 26, 2006
Hydrogen physisorption on the organic linker in metal organic frameworks: ab initio computational study
Miguel Wong, Corneliu Buda, Barry D Dunietz
Journal of the American Chemical Society
|
March 14, 2013
CO chemisorption and dissociation at high coverages during CO hydrogenation on Ru catalysts
Brett T Loveless, Corneliu Buda, Matthew Neurock, et al.
Journal of the American Chemical Society
|
September 17, 2011
Reactivity of chemisorbed oxygen atoms and their catalytic consequences during CH4-O2 catalysis on supported Pt clusters
Ya-Huei Cathy Chin, Corneliu Buda, Matthew Neurock, et al.
Journal of Chemical Information and Modeling
|
July 28, 2005
Stability studies of transition-metal linkage isomers using quantum mechanical methods. Groups 11 and 12 transition metals
Corneliu Buda, Abul B Kazi, Adriana Dinescu, et al.
Journal of the American Chemical Society
|
October 3, 2013
Consequences of metal-oxide interconversion for C-H bond activation during CH4 reactions on Pd catalysts
Ya-Huei Cathy Chin, Corneliu Buda, Matthew Neurock, et al.
Inorganic Chemistry
|
April 16, 2002
De novo structural prediction of transition metal complexes: application to technetium
Corneliu Buda, Stanley K Burt, Thomas R Cundari, et al.
Inorganic Chemistry
|
April 12, 2005
Low-coordinate chromium siloxides: the "box" [Cr(mu-Cl)(mu-OSitBu3)]4, distorted trigonal [(tBu3SiO)3Cr][Na(benzene)] and [(tBu3SiO)3Cr][Na(dibenzo-18-c-6)], and trigonal (tBu3SiO)3Cr
Orson L Sydora, Peter T Wolczanski, Emil B Lobkovsky, et al.
Journal of the American Chemical Society
|
June 9, 2005
3-center-4-electron bonding in [(silox)2Mo=NtBu]2(mu-Hg) controls reactivity while frontier orbitals permit a dimolybdenum pi-bond energy estimate
Devon C Rosenfeld, Peter T Wolczanski, Khaldoon A Barakat, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 28, 2023
Molecular modelling of the thermophysical properties of fluids: expectations, limitations, gaps and opportunities
Marcus J Tillotson, Nikolaos I Diamantonis, Corneliu Buda, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 19, 2024
A dual-cutoff machine-learned potential for condensed organic systems obtained <i>via</i> uncertainty-guided active learning
Leonid Kahle, Benoit Minisini, Tai Bui, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 15) with videos related to
Sort By:
Page
of 2
The Journal of Physical Chemistry. B
|
May 26, 2006
Hydrogen physisorption on the organic linker in metal organic frameworks: ab initio computational study
Miguel Wong, Corneliu Buda, Barry D Dunietz
Journal of the American Chemical Society
|
March 14, 2013
CO chemisorption and dissociation at high coverages during CO hydrogenation on Ru catalysts
Brett T Loveless, Corneliu Buda, Matthew Neurock, et al.
Journal of the American Chemical Society
|
September 17, 2011
Reactivity of chemisorbed oxygen atoms and their catalytic consequences during CH4-O2 catalysis on supported Pt clusters
Ya-Huei Cathy Chin, Corneliu Buda, Matthew Neurock, et al.
Journal of Chemical Information and Modeling
|
July 28, 2005
Stability studies of transition-metal linkage isomers using quantum mechanical methods. Groups 11 and 12 transition metals
Corneliu Buda, Abul B Kazi, Adriana Dinescu, et al.
Journal of the American Chemical Society
|
October 3, 2013
Consequences of metal-oxide interconversion for C-H bond activation during CH4 reactions on Pd catalysts
Ya-Huei Cathy Chin, Corneliu Buda, Matthew Neurock, et al.
Inorganic Chemistry
|
April 16, 2002
De novo structural prediction of transition metal complexes: application to technetium
Corneliu Buda, Stanley K Burt, Thomas R Cundari, et al.
Inorganic Chemistry
|
April 12, 2005
Low-coordinate chromium siloxides: the "box" [Cr(mu-Cl)(mu-OSitBu3)]4, distorted trigonal [(tBu3SiO)3Cr][Na(benzene)] and [(tBu3SiO)3Cr][Na(dibenzo-18-c-6)], and trigonal (tBu3SiO)3Cr
Orson L Sydora, Peter T Wolczanski, Emil B Lobkovsky, et al.
Journal of the American Chemical Society
|
June 9, 2005
3-center-4-electron bonding in [(silox)2Mo=NtBu]2(mu-Hg) controls reactivity while frontier orbitals permit a dimolybdenum pi-bond energy estimate
Devon C Rosenfeld, Peter T Wolczanski, Khaldoon A Barakat, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 28, 2023
Molecular modelling of the thermophysical properties of fluids: expectations, limitations, gaps and opportunities
Marcus J Tillotson, Nikolaos I Diamantonis, Corneliu Buda, et al.
Physical Chemistry Chemical Physics : PCCP
|
August 19, 2024
A dual-cutoff machine-learned potential for condensed organic systems obtained <i>via</i> uncertainty-guided active learning
Leonid Kahle, Benoit Minisini, Tai Bui, et al.
Page
of 2