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The Journal of Chemical Physics|October 19, 2010
Performance of W4 theory for spectroscopic constants and electrical properties of small moleculesAmir Karton, Jan M L MartinThe Journal of Physical Chemistry. A|December 12, 2022
Performance of Localized-Orbital Coupled-Cluster Approaches for the Conformational Energies of Longer n-Alkane ChainsGolokesh Santra, Jan M L MartinThe Journal of Physical Chemistry. A|June 15, 2007
Heats of formation of beryllium, boron, aluminum, and silicon re-examined by means of W4 theoryAmir Karton, Jan M L MartinJournal of Computational Chemistry|January 12, 2024
On the sensitivity of computed partial charges toward basis set and (exchange-)correlation treatmentNisha Mehta, Jan M L MartinChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|July 22, 2022
Thermally-Activated Tunneling in the Two-Water Bridge Catalyzed Tautomerization of Phosphinylidene CompoundsAshim Nandi, Jan M L MartinThe Journal of Physical Chemistry. A|June 10, 2022
MP2-F12 Basis Set Convergence near the Complete Basis Set Limit: Are h Functions Sufficient?Nisha Mehta, Jan M L MartinThe Journal of Physical Chemistry. A|February 28, 2023
The Importance of Tight f Basis Functions for Heavy p-Block Oxides and Halides: A Parallel With Tight d functions in the Second RowNisha Mehta, Jan M L MartinJournal of Chemical Theory and Computation|September 13, 2022
Explicitly Correlated Double-Hybrid DFT: A Comprehensive Analysis of the Basis Set Convergence on the GMTKN55 DatabaseNisha Mehta, Jan M L MartinThe Journal of Physical Chemistry Letters|September 30, 2022
Reduced-Scaling Double Hybrid Density Functional Theory with Rapid Basis Set Convergence through Localized Pair Natural Orbital F12Nisha Mehta, Jan M L MartinJournal of Computational Chemistry|July 19, 2022
Automatic generation of complementary auxiliary basis sets for explicitly correlated methodsEmmanouil Semidalas, Jan M L MartinPageof 18