Batista ER - Search Results

1

Covalency trends in group IV metallocene dichlorides. chlorine K-edge X-ray absorption spectroscopy and time dependent-density functional theory.

Kozimor SA, Yang P, Batista ER, Boland KS, Burns CJ, Christensen CN, Clark DL, Conradson SD, Hay PJ, Lezama JS, Martin RL, Schwarz DE, Wilkerson MP, Wolfsberg LE. Kozimor SA, et al. Among authors: batista er. Inorg Chem. 2008 Jun 16;47(12):5365-71. doi: 10.1021/ic8004932. Epub 2008 May 10. Inorg Chem. 2008. PMID: 18470982

2

Density functional investigations of the properties and thermochemistry of UF6 and UF5 using valence-electron and all-electron approaches.

Batista ER, Martin RL, Hay PJ, Peralta JE, Scuseria GE. Batista ER, et al. J Chem Phys. 2004 Aug 1;121(5):2144-50. doi: 10.1063/1.1768518. J Chem Phys. 2004. PMID: 15260768

3

Density functional investigations of the properties and thermochemistry of UFn and UCln (n=1,...,6).

Batista ER, Martin RL, Hay PJ. Batista ER, et al. J Chem Phys. 2004 Dec 8;121(22):11104-11. doi: 10.1063/1.1811607. J Chem Phys. 2004. PMID: 15634063

4

Synthesis of imido analogs of the uranyl ion.

Hayton TW, Boncella JM, Scott BL, Palmer PD, Batista ER, Hay PJ. Hayton TW, et al. Among authors: batista er. Science. 2005 Dec 23;310(5756):1941-3. doi: 10.1126/science.1120069. Science. 2005. PMID: 16373571

5

Exciton localization in a Pt-acetylide complex.

Batista ER, Martin RL. Batista ER, et al. J Phys Chem A. 2005 Nov 3;109(43):9856-9. doi: 10.1021/jp053139a. J Phys Chem A. 2005. PMID: 16833300

6

On the excited states involved in the luminescent probe [Ru(bpy)2dppz]2+.

Batista ER, Martin RL. Batista ER, et al. J Phys Chem A. 2005 Apr 14;109(14):3128-33. doi: 10.1021/jp050673+. J Phys Chem A. 2005. PMID: 16833639

7

Synthesis and reactivity of the imido analogues of the uranyl ion.

Hayton TW, Boncella JM, Scott BL, Batista ER, Hay PJ. Hayton TW, et al. Among authors: batista er. J Am Chem Soc. 2006 Aug 16;128(32):10549-59. doi: 10.1021/ja0629155. J Am Chem Soc. 2006. PMID: 16895423

8

Electron localization in the ground state of the ruthenium blue dimer.

Batista ER, Martin RL. Batista ER, et al. J Am Chem Soc. 2007 Jun 13;129(23):7224-5. doi: 10.1021/ja0712773. Epub 2007 May 22. J Am Chem Soc. 2007. PMID: 17516645 No abstract available.

9

Imido exchange in bis(imido) uranium(VI) complexes with aryl isocyanates.

Spencer LP, Yang P, Scott BL, Batista ER, Boncella JM. Spencer LP, et al. Among authors: batista er. J Am Chem Soc. 2008 Mar 12;130(10):2930-1. doi: 10.1021/ja7107454. Epub 2008 Feb 14. J Am Chem Soc. 2008. PMID: 18271590 No abstract available.

10

Theoretical studies on the redox potentials of Fe dinuclear complexes as models for hydrogenase.

Roy LE, Batista ER, Hay PJ. Roy LE, et al. Among authors: batista er. Inorg Chem. 2008 Oct 20;47(20):9228-37. doi: 10.1021/ic800541w. Epub 2008 Sep 24. Inorg Chem. 2008. PMID: 18811143

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