Jan M. L. Martin
Orcid: 0000-0002-0005-5074
According to our database1,
Jan M. L. Martin
authored at least 8 papers
between 2001 and 2024.
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Bibliography
2024
On the sensitivity of computed partial charges toward basis set and (exchange-)correlation treatment.
J. Comput. Chem., May, 2024
2022
Automatic generation of complementary auxiliary basis sets for explicitly correlated methods.
J. Comput. Chem., 2022
2017
W4-17: A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methods.
J. Comput. Chem., 2017
2016
Heats of formation of platonic hydrocarbon cages by means of high-level thermochemical procedures.
J. Comput. Chem., 2016
2013
Spin-component-scaled double hybrids: An extensive search for the best fifth-rung functionals blending DFT and perturbation theory.
J. Comput. Chem., 2013
2010
Can DFT methods correctly and efficiently predict the coordination number of copper(I) complexes? A case study.
J. Comput. Chem., 2010
2008
Fundamental vibrational frequencies and dominant resonances in methylamine isotopologues by <i>ab initio</i> and density functional theory methods.
J. Comput. Chem., 2008
2001
Definitive heat of formation of methylenimine, CH2NH, and of methylenimmonium ion, CH2NH2+, by means of W2 theory .
J. Comput. Chem., 2001