Oxgaard J - Search Results

1

Thermal decomposition of RDX from reactive molecular dynamics.

Strachan A, Kober EM, van Duin AC, Oxgaard J, Goddard WA. Strachan A, et al. Among authors: oxgaard j. J Chem Phys. 2005 Feb 1;122(5):54502. doi: 10.1063/1.1831277. J Chem Phys. 2005. PMID: 15740334

2

Synthesis, structure, and reactivity of O-donor Ir(III) complexes: C-H activation studies with benzene.

Bhalla G, Liu XY, Oxgaard J, Goddard WA 3rd, Periana RA. Bhalla G, et al. Among authors: oxgaard j. J Am Chem Soc. 2005 Aug 17;127(32):11372-89. doi: 10.1021/ja051532o. J Am Chem Soc. 2005. PMID: 16089467 Free article.

3

Development of the ReaxFF reactive force field for describing transition metal catalyzed reactions, with application to the initial stages of the catalytic formation of carbon nanotubes.

Nielson KD, van Duin AC, Oxgaard J, Deng WQ, Goddard WA 3rd. Nielson KD, et al. Among authors: oxgaard j. J Phys Chem A. 2005 Jan 27;109(3):493-9. doi: 10.1021/jp046244d. J Phys Chem A. 2005. PMID: 16833370

4

Temperature dependence of blue phosphorescent cyclometalated Ir(III) complexes.

Sajoto T, Djurovich PI, Tamayo AB, Oxgaard J, Goddard WA 3rd, Thompson ME. Sajoto T, et al. Among authors: oxgaard j. J Am Chem Soc. 2009 Jul 22;131(28):9813-22. doi: 10.1021/ja903317w. J Am Chem Soc. 2009. PMID: 19537720 Free article.

5

Experimental realization of catalytic CH4 hydroxylation predicted for an iridium NNC pincer complex, demonstrating thermal, protic, and oxidant stability.

Young KJ, Oxgaard J, Ess DH, Meier SK, Stewart T, Goddard WA 3rd, Periana RA. Young KJ, et al. Among authors: oxgaard j. Chem Commun (Camb). 2009 Jun 14;(22):3270-2. doi: 10.1039/b823303a. Epub 2009 Apr 23. Chem Commun (Camb). 2009. PMID: 19587936

6

Mechanism of Ru(II)-catalyzed olefin insertion and C-H activation from quantum chemical studies.

Oxgaard J, Goddard WA 3rd. Oxgaard J, et al. J Am Chem Soc. 2004 Jan 21;126(2):442-3. doi: 10.1021/ja038399p. J Am Chem Soc. 2004. PMID: 14719922 Free article.

7

Mechanistic analysis of hydroarylation catalysts.

Oxgaard J, Periana RA, Goddard WA 3rd. Oxgaard J, et al. J Am Chem Soc. 2004 Sep 22;126(37):11658-65. doi: 10.1021/ja048841j. J Am Chem Soc. 2004. PMID: 15366913 Free article.

8

Pd-mediated activation of molecular oxygen in a nonpolar medium.

Keith JM, Nielsen RJ, Oxgaard J, Goddard WA 3rd. Keith JM, et al. Among authors: oxgaard j. J Am Chem Soc. 2005 Sep 28;127(38):13172-9. doi: 10.1021/ja043094b. J Am Chem Soc. 2005. PMID: 16173744 Free article.

9

CH activation with an O-donor iridium-methoxo complex.

Tenn WJ 3rd, Young KJ, Bhalla G, Oxgaard J, Goddard WA 3rd, Periana RA. Tenn WJ 3rd, et al. Among authors: oxgaard j. J Am Chem Soc. 2005 Oct 19;127(41):14172-3. doi: 10.1021/ja051497l. J Am Chem Soc. 2005. PMID: 16218597

10

Inaccessibility of beta-hydride elimination from -OH functional groups in Wacker-type oxidation.

Keith JA, Oxgaard J, Goddard WA 3rd. Keith JA, et al. Among authors: oxgaard j. J Am Chem Soc. 2006 Mar 15;128(10):3132-3. doi: 10.1021/ja0533139. J Am Chem Soc. 2006. PMID: 16522079

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