Barone V - Search Results

1

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

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 characterization of lanthanide(III)-DOTA complexes by ab initio investigation in vacuo and in aqueous solution.

Cosentino U, Villa A, Pitea D, Moro G, Barone V, Maiocchi A. Cosentino U, et al. Among authors: barone v. J Am Chem Soc. 2002 May 1;124(17):4901-9. doi: 10.1021/ja017666t. J Am Chem Soc. 2002. PMID: 11971741

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

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

647 results

Search Page

Filters