Definitive heat of formation of methylenimine, CH2NH, and of methylenimmonium ion, CH2NH2+, by means of W2 theory . - Glênisson de Oliveira; Jan M. L. Martin; Indira K. C. Silwal; Joel F. Liebman (J. Comput. Chem., 2001)

Fundamental vibrational frequencies and dominant resonances in methylamine isotopologues by ab initio and density functional theory methods. - Chen Levi; Jan M. L. Martin; Ilana Bar (J. Comput. Chem., 2008)

Can DFT methods correctly and efficiently predict the coordination number of copper(I) complexes? A case study. - Tamar Ansbacher; Hemant Kumar Srivastava; Jan M. L. Martin; Avital Shurki (J. Comput. Chem., 2010)

Spin-component-scaled double hybrids: An extensive search for the best fifth-rung functionals blending DFT and perturbation theory. - Sebastian Kozuch; Jan M. L. Martin (J. Comput. Chem., 2013)

Heats of formation of platonic hydrocarbon cages by means of high-level thermochemical procedures. - Amir Karton; Peter R. Schreiner; Jan M. L. Martin (J. Comput. Chem., 2016)

W4-17: A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methods. - Amir Karton; Nitai Sylvetsky; Jan M. L. Martin (J. Comput. Chem., 2017)

Automatic generation of complementary auxiliary basis sets for explicitly correlated methods. - Emmanouil Semidalas; Jan M. L. Martin (J. Comput. Chem., 2022)

On the sensitivity of computed partial charges toward basis set and (exchange-)correlation treatment. - Nisha Mehta; Jan M. L. Martin (J. Comput. Chem., 2024)

Does Basis Set Superposition Error Significantly Affect Post-CCSD(T) Corrections? - Vladimir Fishman; Emmanouil Semidalas; Margarita Shepelenko; Jan M. L. Martin (J. Comput. Chem., 2025)