Jan M. L. Martin

Publication Activity (10 Years)

Years Active: 2001-2024
Publications (10 Years): 4

Top Topics

Benchmark Datasets

Synthetic Datasets

Computational Cost

Top Venues

J. Comput. Chem.

Publications

Nisha Mehta, Jan M. L. Martin
On the sensitivity of computed partial charges toward basis set and (exchange-)correlation treatment. J. Comput. Chem. 45 (13) (2024)
Emmanouil Semidalas, Jan M. L. Martin
Automatic generation of complementary auxiliary basis sets for explicitly correlated methods. J. Comput. Chem. 43 (25) (2022)
Amir Karton, Nitai Sylvetsky, Jan M. L. Martin
W4-17: A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methods. J. Comput. Chem. 38 (24) (2017)
Amir Karton, Peter R. Schreiner, Jan M. L. Martin
Heats of formation of platonic hydrocarbon cages by means of high-level thermochemical procedures. J. Comput. Chem. 37 (1) (2016)
Sebastian Kozuch, Jan M. L. Martin
Spin-component-scaled double hybrids: An extensive search for the best fifth-rung functionals blending DFT and perturbation theory. J. Comput. Chem. 34 (27) (2013)
Tamar Ansbacher, Hemant Kumar Srivastava, Jan M. L. Martin, Avital Shurki
Can DFT methods correctly and efficiently predict the coordination number of copper(I) complexes? A case study. J. Comput. Chem. 31 (1) (2010)
Chen Levi, Jan M. L. Martin, Ilana Bar
and density functional theory methods. J. Comput. Chem. 29 (8) (2008)
Glênisson de Oliveira, Jan M. L. Martin, Indira K. C. Silwal, Joel F. Liebman
Definitive heat of formation of methylenimine, CH2NH, and of methylenimmonium ion, CH2NH2+, by means of W2 theory . J. Comput. Chem. 22 (13) (2001)