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Journal of Computational Chemistry
|
May 29, 2008
Kick: constraining a stochastic search procedure with molecular fragments
Matthew A Addicoat, Gregory F Metha
The Journal of Chemical Physics
|
May 2, 2009
Excited states of Nb3N2 and Nb3C2: density functional theory, CASSCF, and MRCI studies
Matthew A Addicoat, Gregory F Metha
The Journal of Physical Chemistry. A
|
March 3, 2010
Onset of carbon-carbon bonding in Ta(5)C(y) (y = 0-6) clusters: a threshold photoionization and density functional theory study
Viktoras Dryza, Jason F Alvino, Gregory F Metha
The Journal of Physical Chemistry. A
|
June 23, 2020
Using Photoionization Efficiency Spectroscopy and Density Functional Theory to Investigate Charge Transfer Interactions in AuCe<sub>3</sub>O<sub></sub> Clusters
Robert A Hardy, Aidan M Karayilan, Gregory F Metha
Journal of Computational Chemistry
|
August 24, 2010
Density functional theory investigation of Cu(I)- and Cu(II)-curcumin complexes
Matthew A Addicoat, Gregory F Metha, Tak W Kee
The Journal of Chemical Physics
|
July 27, 2012
Reactions of Nb2 and Nb3 with CO, D2, N2, and O2: reconciling experimental kinetics with density functional theory-calculated reaction profiles
Matthew A Addicoat, Kieran F Lim, Gregory F Metha
The Journal of Physical Chemistry. A
|
November 9, 2019
Investigating Charge Transfer Interactions in AuCe<sub>2</sub>O<i></i> Clusters Using Photoionization Efficiency Spectroscopy and Density Functional Theory
Robert A Hardy, Aidan M Karayilan, Gregory F Metha
ACS Omega
|
August 29, 2019
Effect of Charge and Phosphine Ligands on the Electronic Structure of the Au<sub>8</sub> Cluster
Juan C Burgos, Sol M Mejía, Gregory F Metha
Physical Chemistry Chemical Physics : PCCP
|
June 23, 2009
Onset of carbon-carbon bonding in the Nb(5)C(y) (y = 0-6) clusters: a threshold photo-ionisation and density functional theory study
Viktoras Dryza, Jason R Gascooke, Mark A Buntine, et al.
Journal of Computational Chemistry
|
April 9, 2008
Associative versus dissociative binding of CO to 4d transition metal trimers: A density functional study
Matthew A Addicoat, Mark A Buntine, Brian Yates, et al.
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of 6
Search research articles
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Showing results (1-10 of 53) with videos related to
Sort By:
Page
of 6
Journal of Computational Chemistry
|
May 29, 2008
Kick: constraining a stochastic search procedure with molecular fragments
Matthew A Addicoat, Gregory F Metha
The Journal of Chemical Physics
|
May 2, 2009
Excited states of Nb3N2 and Nb3C2: density functional theory, CASSCF, and MRCI studies
Matthew A Addicoat, Gregory F Metha
The Journal of Physical Chemistry. A
|
March 3, 2010
Onset of carbon-carbon bonding in Ta(5)C(y) (y = 0-6) clusters: a threshold photoionization and density functional theory study
Viktoras Dryza, Jason F Alvino, Gregory F Metha
The Journal of Physical Chemistry. A
|
June 23, 2020
Using Photoionization Efficiency Spectroscopy and Density Functional Theory to Investigate Charge Transfer Interactions in AuCe<sub>3</sub>O<sub></sub> Clusters
Robert A Hardy, Aidan M Karayilan, Gregory F Metha
Journal of Computational Chemistry
|
August 24, 2010
Density functional theory investigation of Cu(I)- and Cu(II)-curcumin complexes
Matthew A Addicoat, Gregory F Metha, Tak W Kee
The Journal of Chemical Physics
|
July 27, 2012
Reactions of Nb2 and Nb3 with CO, D2, N2, and O2: reconciling experimental kinetics with density functional theory-calculated reaction profiles
Matthew A Addicoat, Kieran F Lim, Gregory F Metha
The Journal of Physical Chemistry. A
|
November 9, 2019
Investigating Charge Transfer Interactions in AuCe<sub>2</sub>O<i></i> Clusters Using Photoionization Efficiency Spectroscopy and Density Functional Theory
Robert A Hardy, Aidan M Karayilan, Gregory F Metha
ACS Omega
|
August 29, 2019
Effect of Charge and Phosphine Ligands on the Electronic Structure of the Au<sub>8</sub> Cluster
Juan C Burgos, Sol M Mejía, Gregory F Metha
Physical Chemistry Chemical Physics : PCCP
|
June 23, 2009
Onset of carbon-carbon bonding in the Nb(5)C(y) (y = 0-6) clusters: a threshold photo-ionisation and density functional theory study
Viktoras Dryza, Jason R Gascooke, Mark A Buntine, et al.
Journal of Computational Chemistry
|
April 9, 2008
Associative versus dissociative binding of CO to 4d transition metal trimers: A density functional study
Matthew A Addicoat, Mark A Buntine, Brian Yates, et al.
Page
of 6