Harvey JN - Search Results

1

Nitrogen atom transfer from iron(IV) nitrido complexes: a dual-nature transition state for atom transfer.

Scepaniak JJ, Margarit CG, Harvey JN, Smith JM. Scepaniak JJ, et al. Among authors: harvey jn. Inorg Chem. 2011 Oct 3;50(19):9508-17. doi: 10.1021/ic201190c. Epub 2011 Sep 8. Inorg Chem. 2011. PMID: 21902179

2

Computational analysis of amine-borane adducts as potential hydrogen storage materials with reversible hydrogen uptake.

Staubitz A, Besora M, Harvey JN, Manners I. Staubitz A, et al. Among authors: harvey jn. Inorg Chem. 2008 Jul 7;47(13):5910-8. doi: 10.1021/ic800344h. Epub 2008 May 24. Inorg Chem. 2008. PMID: 18500797

3

Multiple Bonding Involving Late Transition Metals. The Case of a Silver-Oxo Complex.

Cundari TR, Harvey JN, Klinckman TR, Fu W. Cundari TR, et al. Among authors: harvey jn. Inorg Chem. 1999 Nov 29;38(24):5611-5615. doi: 10.1021/ic9904642. Inorg Chem. 1999. PMID: 11671290

4

Electronic structure and formation of simple ferryloxo complexes: mechanism of the Fenton reaction.

Petit AS, Pennifold RC, Harvey JN. Petit AS, et al. Among authors: harvey jn. Inorg Chem. 2014 Jul 7;53(13):6473-81. doi: 10.1021/ic500379r. Epub 2014 May 1. Inorg Chem. 2014. PMID: 24785907

5

Understanding the Reactivity of Mn-Oxo Porphyrins for Substrate Hydroxylation: Theoretical Predictions and Experimental Evidence Reconciled.

Ricciarelli D, Phung QM, Belpassi L, Harvey JN, Belanzoni P. Ricciarelli D, et al. Among authors: harvey jn. Inorg Chem. 2019 Jun 3;58(11):7345-7356. doi: 10.1021/acs.inorgchem.9b00476. Epub 2019 May 22. Inorg Chem. 2019. PMID: 31117625

6

The coupled-cluster description of electronic structure: perspectives for bioinorganic chemistry.

Harvey JN. Harvey JN. J Biol Inorg Chem. 2011 Aug;16(6):831-9. doi: 10.1007/s00775-011-0786-7. Epub 2011 May 1. J Biol Inorg Chem. 2011. PMID: 21533957

7

Monohydrates of cuprous chloride and argentous chloride: H2O⋅⋅⋅CuCl and H2O⋅⋅⋅AgCl characterized by rotational spectroscopy and ab initio calculations.

Mikhailov VA, Roberts FJ, Stephens SL, Harris SJ, Tew DP, Harvey JN, Walker NR, Legon AC. Mikhailov VA, et al. Among authors: harvey jn. J Chem Phys. 2011 Apr 7;134(13):134305. doi: 10.1063/1.3561305. J Chem Phys. 2011. PMID: 21476753

8

Mechanism and structure-reactivity relationships for aromatic hydroxylation by cytochrome P450.

Bathelt CM, Ridder L, Mulholland AJ, Harvey JN. Bathelt CM, et al. Among authors: harvey jn. Org Biomol Chem. 2004 Oct 21;2(20):2998-3005. doi: 10.1039/B410729B. Epub 2004 Sep 28. Org Biomol Chem. 2004. PMID: 15480465

9

Testing high-level QM/MM methods for modeling enzyme reactions: acetyl-CoA deprotonation in citrate synthase.

van der Kamp MW, Zurek J, Manby FR, Harvey JN, Mulholland AJ. van der Kamp MW, et al. Among authors: harvey jn. J Phys Chem B. 2010 Sep 2;114(34):11303-14. doi: 10.1021/jp104069t. J Phys Chem B. 2010. PMID: 20690673

10

NO bonding to heme groups: DFT and correlated ab initio calculations.

Oláh J, Harvey JN. Oláh J, et al. Among authors: harvey jn. J Phys Chem A. 2009 Jul 2;113(26):7338-45. doi: 10.1021/jp811316n. J Phys Chem A. 2009. PMID: 19354257

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