Jan M. L. Martin - researchr alias

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Viewing Publication 1 - 9 from 9

2025

T) Corrections?Vladimir Fishman, Emmanouil Semidalas, Margarita Shepelenko, Jan M. L. Martin. jcc, 46(1), 2025. [doi]

2024

On the sensitivity of computed partial charges toward basis set and (exchange-)correlation treatmentNisha Mehta, Jan M. L. Martin. jcc, 45(13):1017-1032, May 2024. [doi]

2022

Automatic generation of complementary auxiliary basis sets for explicitly correlated methodsEmmanouil Semidalas, Jan M. L. Martin. jcc, 43(25):1690-1700, 2022. [doi]

2017

W4-17: A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methodsAmir Karton, Nitai Sylvetsky, Jan M. L. Martin. jcc, 38(24):2063-2075, 2017. [doi]

2016

Heats of formation of platonic hydrocarbon cages by means of high-level thermochemical proceduresAmir Karton, Peter R. Schreiner, Jan M. L. Martin. jcc, 37(1):49-58, 2016. [doi]

2013

Spin-component-scaled double hybrids: An extensive search for the best fifth-rung functionals blending DFT and perturbation theorySebastian Kozuch, Jan M. L. Martin. jcc, 34(27):2327-2344, 2013. [doi]

2010

Can DFT methods correctly and efficiently predict the coordination number of copper(I) complexes? A case studyTamar Ansbacher, Hemant Kumar Srivastava, Jan M. L. Martin, Avital Shurki. jcc, 31(1):75-83, 2010. [doi]

2008

Fundamental vibrational frequencies and dominant resonances in methylamine isotopologues by ::::ab initio:::: and density functional theory methodsChen Levi, Jan M. L. Martin, Ilana Bar. jcc, 29(8):1268-1276, 2008. [doi]

2001

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. jcc, 22(13):1297-1305, 2001. [doi]

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