Musaev DG - Search Results

1

A late-transition metal oxo complex: K7Na9[O=PtIV(H2O)L2], L = [PW9O34]9-.

Anderson TM, Neiwert WA, Kirk ML, Piccoli PM, Schultz AJ, Koetzle TF, Musaev DG, Morokuma K, Cao R, Hill CL. Anderson TM, et al. Among authors: musaev dg. Science. 2004 Dec 17;306(5704):2074-7. doi: 10.1126/science.1104696. Epub 2004 Nov 25. Science. 2004. Retraction in: Science. 2012 Jul 20;337(6092):290. doi: 10.1126/science.337.6092.290-a PMID: 15564312 Retracted.

2

Theoretical studies of biological nitrogen fixation. I. Density functional modeling of the Mo-site of the FeMo-cofactor.

Szilagyi RK, Musaev DG, Morokuma K. Szilagyi RK, et al. Among authors: musaev dg. Inorg Chem. 2001 Feb 12;40(4):766-75. doi: 10.1021/ic000188n. Inorg Chem. 2001. PMID: 11225121

3

Effects of the protein environment on the structure and energetics of active sites of metalloenzymes. ONIOM study of methane monooxygenase and ribonucleotide reductase.

Torrent M, Vreven T, Musaev DG, Morokuma K, Farkas O, Schlegel HB. Torrent M, et al. Among authors: musaev dg. J Am Chem Soc. 2002 Jan 16;124(2):192-3. doi: 10.1021/ja016589z. J Am Chem Soc. 2002. PMID: 11782169

4

Vinyl-vinyl coupling on late transition metals through C-C reductive elimination mechanism. A computational study.

Ananikov VP, Musaev DG, Morokuma K. Ananikov VP, et al. Among authors: musaev dg. J Am Chem Soc. 2002 Mar 20;124(11):2839-52. doi: 10.1021/ja017476i. J Am Chem Soc. 2002. PMID: 11890836

5

Computational studies of reaction mechanisms of methane monooxygenase and ribonucleotide reductase.

Torrent M, Musaev DG, Basch H, Morokuma K. Torrent M, et al. Among authors: musaev dg. J Comput Chem. 2002 Jan 15;23(1):59-76. doi: 10.1002/jcc.1157. J Comput Chem. 2002. PMID: 11913390

6

Theoretical study of the mechanism of alkane hydroxylation and ethylene epoxidation reactions catalyzed by diiron bis-oxo complexes. The effect of substrate molecules.

Musaev DG, Basch H, Morokuma K. Musaev DG, et al. J Am Chem Soc. 2002 Apr 17;124(15):4135-48. doi: 10.1021/ja0176393. J Am Chem Soc. 2002. PMID: 11942853

7

Computational studies of tungsten-catalyzed endo-selective cycloisomerization of 4-pentyn-1-ol.

Sheng Y, Musaev DG, Reddy KS, McDonald FE, Morokuma K. Sheng Y, et al. Among authors: musaev dg. J Am Chem Soc. 2002 Apr 17;124(15):4149-57. doi: 10.1021/ja017668d. J Am Chem Soc. 2002. PMID: 11942854

8

Internal degrees of freedom, structural motifs, and conformational energetics of the 5'-deoxyadenosyl radical: implications for function in adenosylcobalamin-dependent enzymes. A computational study.

Khoroshun DV, Warncke K, Ke SC, Musaev DG, Morokuma K. Khoroshun DV, et al. Among authors: musaev dg. J Am Chem Soc. 2003 Jan 15;125(2):570-9. doi: 10.1021/ja028393k. J Am Chem Soc. 2003. PMID: 12517173

9

Computational study of the aminolysis of esters. The reaction of methylformate with ammonia.

Ilieva S, Galabov B, Musaev DG, Morokuma K, Schaefer HF 3rd. Ilieva S, et al. Among authors: musaev dg. J Org Chem. 2003 Feb 21;68(4):1496-502. doi: 10.1021/jo0263723. J Org Chem. 2003. PMID: 12585894

10

Can the ebselen derivatives catalyze the isomerization of peroxynitrite to nitrate?

Musaev DG, Geletii YV, Hill CL, Hirao K. Musaev DG, et al. J Am Chem Soc. 2003 Apr 2;125(13):3877-88. doi: 10.1021/ja0286324. J Am Chem Soc. 2003. PMID: 12656622

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