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Jan M L Martin

Showing results (61-70 of 120) with videos related to

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Journal of Computational Chemistry|December 24, 2024
Does Basis Set Superposition Error Significantly Affect Post-CCSD(T) Corrections?Vladimir Fishman, Emmanouil Semidalas, Margarita Shepelenko, et al.
The Journal of Chemical Physics|October 18, 2006
W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictionsAmir Karton, Elena Rabinovich, Jan M L Martin, et al.
Journal of Chemical Theory and Computation|April 28, 2020
Performance of Localized Coupled Cluster Methods in a Moderately Strong Correlation Regime: Hückel-Möbius Interconversions in Expanded PorphyrinsNitai Sylvetsky, Ambar Banerjee, Mercedes Alonso, et al.
Nature Structural Biology|January 14, 2003
Active site electronic structure and dynamics during metalloenzyme catalysisOded Kleifeld, Anatoly Frenkel, Jan M L Martin, et al.
The Journal of Physical Chemistry. A|December 6, 2019
Tribute to Leo RadomAmir Karton, Jan M L Martin, Peter M W Gill
Chemistry (Weinheim an Der Bergstrasse, Germany)|May 8, 2010
Borane-lewis base complexes as homolytic hydrogen atom donorsJohnny Hioe, Amir Karton, Jan M L Martin, et al.
The Journal of Physical Chemistry. A|May 22, 2026
Toward an Affordable Density-Based Measure for the Quality of a Coupled Cluster CalculationGregory H Jones, Kaila E Weflen, Jan M L Martin
Journal of the American Chemical Society|October 1, 2010
DFT study of the structure and reactivity of the terminal Pt(IV)-oxo complex bearing no electron-withdrawing ligandsIrena Efremenko, Elena Poverenov, Jan M L Martin, et al.
Physical Chemistry Chemical Physics : PCCP|February 14, 2013
Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with cautionLars Goerigk, Amir Karton, Jan M L Martin, et al.
Dalton Transactions (Cambridge, England : 2003)|August 8, 2009
A DFT study on the mechanism of a novel, regioselective, intramolecular N-pi rearrangement of cis and trans-eta1-N-Cp*Rh-hydroxytamoxifen complexes to their eta6 derivatives; potential breast cancer pharmaceuticals, and fluorescent probesIrena Efremenko, Siden Top, Jan M L Martin, et al.
Pageof 12

Showing results (61-70 of 120) with videos related to

Sort By:
Pageof 12
Journal of Computational Chemistry|December 24, 2024
Does Basis Set Superposition Error Significantly Affect Post-CCSD(T) Corrections?Vladimir Fishman, Emmanouil Semidalas, Margarita Shepelenko, et al.
The Journal of Chemical Physics|October 18, 2006
W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictionsAmir Karton, Elena Rabinovich, Jan M L Martin, et al.
Journal of Chemical Theory and Computation|April 28, 2020
Performance of Localized Coupled Cluster Methods in a Moderately Strong Correlation Regime: Hückel-Möbius Interconversions in Expanded PorphyrinsNitai Sylvetsky, Ambar Banerjee, Mercedes Alonso, et al.
Nature Structural Biology|January 14, 2003
Active site electronic structure and dynamics during metalloenzyme catalysisOded Kleifeld, Anatoly Frenkel, Jan M L Martin, et al.
The Journal of Physical Chemistry. A|December 6, 2019
Tribute to Leo RadomAmir Karton, Jan M L Martin, Peter M W Gill
Chemistry (Weinheim an Der Bergstrasse, Germany)|May 8, 2010
Borane-lewis base complexes as homolytic hydrogen atom donorsJohnny Hioe, Amir Karton, Jan M L Martin, et al.
The Journal of Physical Chemistry. A|May 22, 2026
Toward an Affordable Density-Based Measure for the Quality of a Coupled Cluster CalculationGregory H Jones, Kaila E Weflen, Jan M L Martin
Journal of the American Chemical Society|October 1, 2010
DFT study of the structure and reactivity of the terminal Pt(IV)-oxo complex bearing no electron-withdrawing ligandsIrena Efremenko, Elena Poverenov, Jan M L Martin, et al.
Physical Chemistry Chemical Physics : PCCP|February 14, 2013
Accurate quantum chemical energies for tetrapeptide conformations: why MP2 data with an insufficient basis set should be handled with cautionLars Goerigk, Amir Karton, Jan M L Martin, et al.
Dalton Transactions (Cambridge, England : 2003)|August 8, 2009
A DFT study on the mechanism of a novel, regioselective, intramolecular N-pi rearrangement of cis and trans-eta1-N-Cp*Rh-hydroxytamoxifen complexes to their eta6 derivatives; potential breast cancer pharmaceuticals, and fluorescent probesIrena Efremenko, Siden Top, Jan M L Martin, et al.
Pageof 12