Martin JM - Search Results

1

Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled?

Sylvetsky N, Peterson KA, Karton A, Martin JM. Sylvetsky N, et al. Among authors: martin jm. J Chem Phys. 2016 Jun 7;144(21):214101. doi: 10.1063/1.4952410. J Chem Phys. 2016. PMID: 27276939 Free article.

2

W3 theory: robust computational thermochemistry in the kJ/mol accuracy range.

Boese AD, Oren M, Atasoylu O, Martin JM, Kallay M, Gauss J. Boese AD, et al. Among authors: martin jm. J Chem Phys. 2004 Mar 1;120(9):4129-41. doi: 10.1063/1.1638736. J Chem Phys. 2004. PMID: 15268579

3

Platinum stilbazoles: ring-walking coupled with aryl-halide bond activation.

Strawser D, Karton A, Zenkina OV, Iron MA, Shimon LJ, Martin JM, van der Boom ME. Strawser D, et al. Among authors: martin jm. J Am Chem Soc. 2005 Jul 6;127(26):9322-3. doi: 10.1021/ja050613h. J Am Chem Soc. 2005. PMID: 15984831

4

Benchmark study of DFT functionals for late-transition-metal reactions.

Quintal MM, Karton A, Iron MA, Boese AD, Martin JM. Quintal MM, et al. Among authors: martin jm. J Phys Chem A. 2006 Jan 19;110(2):709-16. doi: 10.1021/jp054449w. J Phys Chem A. 2006. PMID: 16405344

5

NLO properties of metallabenzene-based chromophores: a time-dependent density functional study.

Karton A, Iron MA, van der Boom ME, Martin JM. Karton A, et al. Among authors: martin jm. J Phys Chem A. 2005 Jun 23;109(24):5454-62. doi: 10.1021/jp0443456. J Phys Chem A. 2005. PMID: 16839073

6

Selective sp3 C-H activation of ketones at the beta position by Ir(I). Origin of regioselectivity and water effect.

Feller M, Karton A, Leitus G, Martin JM, Milstein D. Feller M, et al. Among authors: martin jm. J Am Chem Soc. 2006 Sep 27;128(38):12400-1. doi: 10.1021/ja0641352. J Am Chem Soc. 2006. PMID: 16984174

7

W4 theory for computational thermochemistry: In pursuit of confident sub-kJ/mol predictions.

Karton A, Rabinovich E, Martin JM, Ruscic B. Karton A, et al. Among authors: martin jm. J Chem Phys. 2006 Oct 14;125(14):144108. doi: 10.1063/1.2348881. J Chem Phys. 2006. PMID: 17042580

8

The lowest singlet-triplet excitation energy of BN: A converged coupled cluster perspective.

Karton A, Martin JM. Karton A, et al. Among authors: martin jm. J Chem Phys. 2006 Oct 14;125(14):144313. doi: 10.1063/1.2352752. J Chem Phys. 2006. PMID: 17042596

9

Heats of formation of beryllium, boron, aluminum, and silicon re-examined by means of W4 theory.

Karton A, Martin JM. Karton A, et al. Among authors: martin jm. J Phys Chem A. 2007 Jul 5;111(26):5936-44. doi: 10.1021/jp071690x. Epub 2007 Jun 14. J Phys Chem A. 2007. PMID: 17567115

10

Basis set convergence of post-CCSD contributions to molecular atomization energies.

Karton A, Taylor PR, Martin JM. Karton A, et al. Among authors: martin jm. J Chem Phys. 2007 Aug 14;127(6):064104. doi: 10.1063/1.2755751. J Chem Phys. 2007. PMID: 17705585

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