Chillemi G - Search Results

1

A coupled molecular dynamics and XANES data analysis investigation of aqueous cadmium(II).

D'Angelo P, Migliorati V, Mancini G, Chillemi G. D'Angelo P, et al. Among authors: chillemi g. J Phys Chem A. 2008 Nov 20;112(46):11833-41. doi: 10.1021/jp806098r. Epub 2008 Oct 24. J Phys Chem A. 2008. PMID: 18947218

2

Experimental evidence for a variable first coordination shell of the cadmium(II) ion in aqueous, dimethyl sulfoxide, and N,N'-dimethylpropyleneurea solution.

D'Angelo P, Chillemi G, Barone V, Mancini G, Sanna N, Persson I. D'Angelo P, et al. Among authors: chillemi g. J Phys Chem B. 2005 May 12;109(18):9178-85. doi: 10.1021/jp050460k. J Phys Chem B. 2005. PMID: 16852093

3

Computational evidence for a variable first shell coordination of the cadmium(II) ion in aqueous solution.

Chillemi G, Barone V, D'Angelo P, Mancini G, Persson I, Sanna N. Chillemi G, et al. J Phys Chem B. 2005 May 12;109(18):9186-93. doi: 10.1021/jp0504625. J Phys Chem B. 2005. PMID: 16852094

4

A coupled Car-Parrinello molecular dynamics and EXAFS data analysis investigation of aqueous Co(2+).

Spezia R, Duvail M, Vitorge P, Cartailler T, Tortajada J, Chillemi G, D'Angelo P, Gaigeot MP. Spezia R, et al. Among authors: chillemi g. J Phys Chem A. 2006 Dec 7;110(48):13081-8. doi: 10.1021/jp064688z. J Phys Chem A. 2006. PMID: 17134169

5

Structural and dynamical properties of the Hg2+ aqua ion: a molecular dynamics study.

Mancini G, Sanna N, Barone V, Migliorati V, D'Angelo P, Chillemi G. Mancini G, et al. Among authors: chillemi g. J Phys Chem B. 2008 Apr 17;112(15):4694-702. doi: 10.1021/jp074545s. Epub 2008 Mar 27. J Phys Chem B. 2008. PMID: 18366205

6

UV-vis spectra of the anticancer camptothecin family drugs in aqueous solution: specific spectroscopic signatures unraveled by a combined computational and experimental study.

Sanna N, Chillemi G, Gontrani L, Grandi A, Mancini G, Castelli S, Zagotto G, Zazza C, Barone V, Desideri A. Sanna N, et al. Among authors: chillemi g. J Phys Chem B. 2009 Apr 23;113(16):5369-75. doi: 10.1021/jp809801y. J Phys Chem B. 2009. PMID: 19334673

7

Structural investigation of lanthanoid coordination: a combined XANES and molecular dynamics study.

D'Angelo P, Zitolo A, Migliorati V, Mancini G, Persson I, Chillemi G. D'Angelo P, et al. Among authors: chillemi g. Inorg Chem. 2009 Nov 2;48(21):10239-48. doi: 10.1021/ic901264e. Inorg Chem. 2009. PMID: 19788258

8

Solvent effects on the valence UV-vis absorption spectra of topotecan anticancer drug in aqueous solution at room temperature: a nanoseconds time-scale TD-DFT/MD computational study.

Zazza C, Coletta A, Sanna N, Chillemi G, Mancini G, Desideri A. Zazza C, et al. Among authors: chillemi g. J Phys Chem B. 2010 May 27;114(20):6770-8. doi: 10.1021/jp1015824. J Phys Chem B. 2010. PMID: 20438088

9

Dynamic investigation of protein metal active sites: interplay of XANES and molecular dynamics simulations.

D'Angelo P, Della Longa S, Arcovito A, Anselmi M, Di Nola A, Chillemi G. D'Angelo P, et al. Among authors: chillemi g. J Am Chem Soc. 2010 Oct 27;132(42):14901-9. doi: 10.1021/ja1056533. J Am Chem Soc. 2010. PMID: 20919711

10

Revised ionic radii of lanthanoid(III) ions in aqueous solution.

D'Angelo P, Zitolo A, Migliorati V, Chillemi G, Duvail M, Vitorge P, Abadie S, Spezia R. D'Angelo P, et al. Among authors: chillemi g. Inorg Chem. 2011 May 16;50(10):4572-9. doi: 10.1021/ic200260r. Epub 2011 Apr 15. Inorg Chem. 2011. PMID: 21495628

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