Zazza C - Search Results

1

Quasi-one-dimensional K-O chain in PTCDA thin films: evidence from first-principles calculations.

Zazza C, Meloni S, Palma A, Knupfer M, Fuentes GG, Car R. Zazza C, et al. Phys Rev Lett. 2007 Jan 26;98(4):046401. doi: 10.1103/PhysRevLett.98.046401. Epub 2007 Jan 22. Phys Rev Lett. 2007. PMID: 17358791

2

Theoretical modeling of enzyme reactions: the thermodynamics of formation of compound 0 in horseradish peroxidase.

Zazza C, Amadei A, Palma A, Sanna N, Tatoli S, Aschi M. Zazza C, et al. J Phys Chem B. 2008 Mar 13;112(10):3184-92. doi: 10.1021/jp0774692. Epub 2008 Feb 21. J Phys Chem B. 2008. PMID: 18288829

3

The role of arginine 38 in horseradish peroxidase enzyme revisited: a computational investigation.

Tatoli S, Zazza C, Sanna N, Palma A, Aschi M. Tatoli S, et al. Among authors: zazza c. Biophys Chem. 2009 Apr;141(1):87-93. doi: 10.1016/j.bpc.2008.12.015. Epub 2009 Jan 15. Biophys Chem. 2009. PMID: 19178992 Free article.

4

In silico characterization of a fourfold magnesium organometallic compound in PTCDA thin films.

Zazza C, Sanna N, Palma A. Zazza C, et al. J Phys Chem A. 2009 Dec 31;113(52):14813-7. doi: 10.1021/jp904940e. J Phys Chem A. 2009. PMID: 19788293

5

Computational study on compound I redox-active species in horseradish peroxydase enzyme: conformational fluctuations and solvation effects.

Zazza C, Palma A, Sanna N, Tatoli S, Aschi M. Zazza C, et al. J Phys Chem B. 2010 May 27;114(20):6817-24. doi: 10.1021/jp101033w. J Phys Chem B. 2010. PMID: 20438084

6

Theoretical study of alpha-84 phycocyanobilin chromophore from the thermophilic cyanobacterium Synechococcus elongatus.

Zazza C, Sanna N, Aschi M. Zazza C, et al. J Phys Chem B. 2007 May 24;111(20):5596-601. doi: 10.1021/jp070994g. Epub 2007 Apr 27. J Phys Chem B. 2007. PMID: 17461572

7

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: zazza c. J Phys Chem B. 2009 Apr 23;113(16):5369-75. doi: 10.1021/jp809801y. J Phys Chem B. 2009. PMID: 19334673

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. J Phys Chem B. 2010 May 27;114(20):6770-8. doi: 10.1021/jp1015824. J Phys Chem B. 2010. PMID: 20438088

9

Oxygen adsorption on β-quartz model surfaces: some insights from density functional theory calculations and semiclassical time-dependent dynamics.

Zazza C, Rutigliano M, Sanna N, Barone V, Cacciatore M. Zazza C, et al. J Phys Chem A. 2012 Mar 8;116(9):1975-83. doi: 10.1021/jp205517j. Epub 2012 Feb 22. J Phys Chem A. 2012. PMID: 22295901

10

Characterization of electronic properties in complex molecular systems: modeling of a micropolarity probe.

Aschi M, Fontana A, Di Meo EM, Zazza C, Amadei A. Aschi M, et al. Among authors: zazza c. J Phys Chem B. 2010 Feb 11;114(5):1915-24. doi: 10.1021/jp909465f. J Phys Chem B. 2010. PMID: 20078086

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