Barone V - Search Results

1

Understanding electron transfer across negatively-charged Aib oligopeptides.

Improta R, Antonello S, Formaggio F, Maran F, Rega N, Barone V. Improta R, et al. Among authors: barone v. J Phys Chem B. 2005 Jan 20;109(2):1023-33. doi: 10.1021/jp045797l. J Phys Chem B. 2005. PMID: 16866475

2

Structure and conformational behavior of biopolymers by density functional calculations employing periodic boundary conditions. I. The case of polyglycine, polyalanine, and poly-alpha-aminoisobutyric acid in vacuo.

Improta R, Barone V, Kudin KN, Scuseria GE. Improta R, et al. Among authors: barone v. J Am Chem Soc. 2001 Apr 11;123(14):3311-22. doi: 10.1021/ja003680e. J Am Chem Soc. 2001. PMID: 11457067

3

Interplay of intrinsic and environmental effects on the magnetic properties of free radicals issuing from H-atom addition to cytosine.

Adamo C, Heitzmann M, Meilleur F, Rega N, Scalmani G, Grand A, Cadet J, Barone V. Adamo C, et al. Among authors: barone v. J Am Chem Soc. 2001 Jul 25;123(29):7113-7. doi: 10.1021/ja004284z. J Am Chem Soc. 2001. PMID: 11459491

4

Understanding the role of stereoelectronic effects in determining collagen stability. 1. A quantum mechanical study of proline, hydroxyproline, and fluoroproline dipeptide analogues in aqueous solution.

Improta R, Benzi C, Barone V. Improta R, et al. Among authors: barone v. J Am Chem Soc. 2001 Dec 19;123(50):12568-77. doi: 10.1021/ja010599i. J Am Chem Soc. 2001. PMID: 11741421

5

Structure and magnetic properties of nitroxide molecular crystals by density functional calculations employing periodic boundary conditions.

Improta R, Kudin KN, Scuseria GE, Barone V. Improta R, et al. Among authors: barone v. J Am Chem Soc. 2002 Jan 9;124(1):113-20. doi: 10.1021/ja011704r. J Am Chem Soc. 2002. PMID: 11772068

6

Quantum mechanical study of the conformational behavior of proline and 4R-hydroxyproline dipeptide analogues in vacuum and in aqueous solution.

Benzi C, Improta R, Scalmani G, Barone V. Benzi C, et al. Among authors: barone v. J Comput Chem. 2002 Feb;23(3):341-50. doi: 10.1002/jcc.10015. J Comput Chem. 2002. PMID: 11908497

7

Conformational analysis of the tyrosine dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model.

Langella E, Rega N, Improta R, Crescenzi O, Barone V. Langella E, et al. Among authors: barone v. J Comput Chem. 2002 Apr 30;23(6):650-61. doi: 10.1002/jcc.10065. J Comput Chem. 2002. PMID: 11939597

8

Understanding the role of stereoelectronic effects in determining collagen stability. 2. A quantum mechanical/molecular mechanical study of (Proline-Proline-Glycine)(n) polypeptides.

Improta R, Mele F, Crescenzi O, Benzi C, Barone V. Improta R, et al. Among authors: barone v. J Am Chem Soc. 2002 Jul 3;124(26):7857-65. doi: 10.1021/ja020187p. J Am Chem Soc. 2002. PMID: 12083941

9

Conformational and spectroscopic analysis of the tyrosyl radical dipeptide analogue in the gas phase and in aqueous solution by a density functional/continuum solvent model.

Langella E, Improta R, Barone V. Langella E, et al. Among authors: barone v. J Am Chem Soc. 2002 Sep 25;124(38):11531-40. doi: 10.1021/ja020465k. J Am Chem Soc. 2002. PMID: 12236768

10

Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model.

Cossi M, Rega N, Scalmani G, Barone V. Cossi M, et al. Among authors: barone v. J Comput Chem. 2003 Apr 30;24(6):669-81. doi: 10.1002/jcc.10189. J Comput Chem. 2003. PMID: 12666158

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