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Journal Articles
- 2024
[j8]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): 1017-1032 (2024)- 2022
- [j7]Emmanouil Semidalas, Jan M. L. Martin:
Automatic generation of complementary auxiliary basis sets for explicitly correlated methods. J. Comput. Chem. 43(25): 1690-1700 (2022) - 2017
- [j6]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): 2063-2075 (2017) - 2016
- [j5]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): 49-58 (2016) - 2013
- [j4]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): 2327-2344 (2013) - 2010
- [j3]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): 75-83 (2010) - 2008
- [j2]Chen Levi, Jan M. L. Martin, Ilana Bar:
Fundamental vibrational frequencies and dominant resonances in methylamine isotopologues by ab initio and density functional theory methods. J. Comput. Chem. 29(8): 1268-1276 (2008) - 2001
- [j1]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): 1297-1305 (2001)
Coauthor Index
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