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Jan M L Martin

Showing results (21-30 of 120) with videos related to

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Journal of Computational Chemistry|August 29, 2013
Spin-component-scaled double hybrids: An extensive search for the best fifth-rung functionals blending DFT and perturbation theorySebastian Kozuch, Jan M L Martin
Journal of Chemical Theory and Computation|January 20, 2022
The MOBH35 Metal-Organic Barrier Heights Reconsidered: Performance of Local-Orbital Coupled Cluster Approaches in Different Static Correlation RegimesEmmanouil Semidalas, Jan M L Martin
Molecules (Basel, Switzerland)|January 11, 2022
Pure and Hybrid SCAN, rSCAN, and r<sup>2</sup>SCAN: Which One Is Preferred in KS- and HF-DFT Calculations, and How Does D4 Dispersion Correction Affect This Ranking?Golokesh Santra, Jan M L Martin
The Journal of Physical Chemistry. A|September 29, 2021
Coupled Cluster Benchmark of New DFT and Local Correlation Methods: Mechanisms of Hydroarylation and Oxidative Coupling Catalyzed by Ru(II, III) Chloride CarbonylsIrena Efremenko, Jan M L Martin
Physical Chemistry Chemical Physics : PCCP|August 13, 2024
Exploring the influence of (<i>n</i> - 1)d subvalence correlation and of spin-orbit coupling on chalcogen bondingNisha Mehta, Jan M L Martin
The Journal of Physical Chemistry. A|December 15, 2015
What Are the Ground State Structures of C20 and C24? An Explicitly Correlated Ab Initio ApproachDebashree Manna, Jan M L Martin
The Journal of Chemical Physics|October 18, 2006
The lowest singlet-triplet excitation energy of BN: A converged coupled cluster perspectiveAmir Karton, Jan M L Martin
The Journal of Chemical Physics|October 21, 2011
Basis set convergence of explicitly correlated double-hybrid density functional theory calculationsAmir Karton, Jan M L Martin
Chemical Communications (Cambridge, England)|March 29, 2011
What makes for a good catalytic cycle? A theoretical study of the SPhos ligand in the Suzuki-Miyaura reactionSebastian Kozuch, Jan M L Martin
The Journal of Chemical Physics|April 3, 2012
Explicitly correlated Wn theory: W1-F12 and W2-F12Amir Karton, Jan M L Martin
Pageof 12

Showing results (21-30 of 120) with videos related to

Sort By:
Pageof 12
Journal of Computational Chemistry|August 29, 2013
Spin-component-scaled double hybrids: An extensive search for the best fifth-rung functionals blending DFT and perturbation theorySebastian Kozuch, Jan M L Martin
Journal of Chemical Theory and Computation|January 20, 2022
The MOBH35 Metal-Organic Barrier Heights Reconsidered: Performance of Local-Orbital Coupled Cluster Approaches in Different Static Correlation RegimesEmmanouil Semidalas, Jan M L Martin
Molecules (Basel, Switzerland)|January 11, 2022
Pure and Hybrid SCAN, rSCAN, and r<sup>2</sup>SCAN: Which One Is Preferred in KS- and HF-DFT Calculations, and How Does D4 Dispersion Correction Affect This Ranking?Golokesh Santra, Jan M L Martin
The Journal of Physical Chemistry. A|September 29, 2021
Coupled Cluster Benchmark of New DFT and Local Correlation Methods: Mechanisms of Hydroarylation and Oxidative Coupling Catalyzed by Ru(II, III) Chloride CarbonylsIrena Efremenko, Jan M L Martin
Physical Chemistry Chemical Physics : PCCP|August 13, 2024
Exploring the influence of (<i>n</i> - 1)d subvalence correlation and of spin-orbit coupling on chalcogen bondingNisha Mehta, Jan M L Martin
The Journal of Physical Chemistry. A|December 15, 2015
What Are the Ground State Structures of C20 and C24? An Explicitly Correlated Ab Initio ApproachDebashree Manna, Jan M L Martin
The Journal of Chemical Physics|October 18, 2006
The lowest singlet-triplet excitation energy of BN: A converged coupled cluster perspectiveAmir Karton, Jan M L Martin
The Journal of Chemical Physics|October 21, 2011
Basis set convergence of explicitly correlated double-hybrid density functional theory calculationsAmir Karton, Jan M L Martin
Chemical Communications (Cambridge, England)|March 29, 2011
What makes for a good catalytic cycle? A theoretical study of the SPhos ligand in the Suzuki-Miyaura reactionSebastian Kozuch, Jan M L Martin
The Journal of Chemical Physics|April 3, 2012
Explicitly correlated Wn theory: W1-F12 and W2-F12Amir Karton, Jan M L Martin
Pageof 12