Polimeno A - Search Results

1

Flexibility at a glycosidic linkage revealed by molecular dynamics, stochastic modeling, and (13)C NMR spin relaxation: conformational preferences of α-L-Rhap-α-(1 → 2)-α-L-Rhap-OMe in water and dimethyl sulfoxide solutions.

Pendrill R, Engström O, Volpato A, Zerbetto M, Polimeno A, Widmalm G. Pendrill R, et al. Among authors: polimeno a. Phys Chem Chem Phys. 2016 Jan 28;18(4):3086-96. doi: 10.1039/c5cp06288h. Phys Chem Chem Phys. 2016. PMID: 26741055

2

Dynamics of liquid benzene: a cage analysis.

Magro A, Frezzato D, Polimeno A, Moro GJ, Chelli R, Righini R. Magro A, et al. Among authors: polimeno a. J Chem Phys. 2005 Sep 22;123(12):124511. doi: 10.1063/1.2018629. J Chem Phys. 2005. PMID: 16392501

According to a paradigm proposed for previous analysis of atomic and molecular liquids [see, for example, A. Polimeno, G. J. Moro, and J. H. Freed, J. Chem. Phys. 102, 8094 (1995)], the istantaneous cage structure is specified by the frame of axes which ident …

According to a paradigm proposed for previous analysis of atomic and molecular liquids [see, for example, A. Polimeno, …

3

Stochastic modeling of CW-ESR spectroscopy of [60]fulleropyrrolidine bisadducts with nitroxide probes.

Polimeno A, Zerbetto M, Franco L, Maggini M, Corvaja C. Polimeno A, et al. J Am Chem Soc. 2006 Apr 12;128(14):4734-41. doi: 10.1021/ja057414i. J Am Chem Soc. 2006. PMID: 16594710

4

Toward an integrated computational approach to CW-ESR spectra of free radicals.

Barone V, Polimeno A. Barone V, et al. Among authors: polimeno a. Phys Chem Chem Phys. 2006 Oct 28;8(40):4609-29. doi: 10.1039/b607998a. Epub 2006 Aug 8. Phys Chem Chem Phys. 2006. PMID: 17047758

5

Development and validation of an integrated computational approach for the modeling of cw-ESR spectra of free radicals in solution: p-(methylthio)phenyl nitronylnitroxide in toluene as a case study.

Barone V, Brustolon M, Cimino P, Polimeno A, Zerbetto M, Zoleo A. Barone V, et al. Among authors: polimeno a. J Am Chem Soc. 2006 Dec 13;128(49):15865-73. doi: 10.1021/ja065475q. J Am Chem Soc. 2006. PMID: 17147399

6

Ab initio modeling of CW-ESR spectra of the double spin labeled peptide Fmoc-(Aib-Aib-TOAC)2-Aib-OMe in acetonitrile.

Zerbetto M, Carlotto S, Polimeno A, Corvaja C, Franco L, Toniolo C, Formaggio F, Barone V, Cimino P. Zerbetto M, et al. Among authors: polimeno a. J Phys Chem B. 2007 Mar 15;111(10):2668-74. doi: 10.1021/jp066908e. Epub 2007 Feb 21. J Phys Chem B. 2007. PMID: 17311450

7

Unraveling solvent-driven equilibria between alpha- and 3(10)-helices through an integrated spin labeling and computational approach.

Carlotto S, Cimino P, Zerbetto M, Franco L, Corvaja C, Crisma M, Formaggio F, Toniolo C, Polimeno A, Barone V. Carlotto S, et al. Among authors: polimeno a. J Am Chem Soc. 2007 Sep 12;129(36):11248-58. doi: 10.1021/ja073516s. Epub 2007 Aug 18. J Am Chem Soc. 2007. PMID: 17705490

8

On the interpretation of continuous wave electron spin resonance spectra of tempo-palmitate in 5-cyanobiphenyl.

Zerbetto M, Polimeno A, Cimino P, Barone V. Zerbetto M, et al. Among authors: polimeno a. J Chem Phys. 2008 Jan 14;128(2):024501. doi: 10.1063/1.2812280. J Chem Phys. 2008. PMID: 18205453

9

Hydrodynamic modeling of diffusion tensor properties of flexible molecules.

Barone V, Zerbetto M, Polimeno A. Barone V, et al. Among authors: polimeno a. J Comput Chem. 2009 Jan 15;30(1):2-13. doi: 10.1002/jcc.21007. J Comput Chem. 2009. PMID: 18496840

10

Modeling of cw-EPR spectra of propagating radicals in methacrylic polymerization at different temperatures.

Hermosilla L, Sieiro C, Calle P, Zerbetto M, Polimeno A. Hermosilla L, et al. Among authors: polimeno a. J Phys Chem B. 2008 Sep 11;112(36):11202-8. doi: 10.1021/jp804675q. Epub 2008 Aug 15. J Phys Chem B. 2008. PMID: 18707082

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