Improta R - Search Results

1

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. J Am Chem Soc. 2002 Jan 9;124(1):113-20. doi: 10.1021/ja011704r. J Am Chem Soc. 2002. PMID: 11772068

2

The photophysics of protonated cytidine and hemiprotonated cytidine base pair: A computational study.

Martinez-Fernandez L, Improta R. Martinez-Fernandez L, et al. Among authors: improta r. Photochem Photobiol. 2024 Mar-Apr;100(2):314-322. doi: 10.1111/php.13832. Epub 2023 Jul 6. Photochem Photobiol. 2024. PMID: 37409732

3

Effect of the Thermal Fluctuations of the Photophysics of GC and CG DNA Steps: A Computational Dynamical Study.

Asha H, Green JA, Esposito L, Martinez-Fernandez L, Santoro F, Improta R. Asha H, et al. Among authors: improta r. J Phys Chem B. 2022 Dec 22;126(50):10608-10621. doi: 10.1021/acs.jpcb.2c05688. Epub 2022 Dec 12. J Phys Chem B. 2022. PMID: 36508709

4

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. J Am Chem Soc. 2001 Apr 11;123(14):3311-22. doi: 10.1021/ja003680e. J Am Chem Soc. 2001. PMID: 11457067

5

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. J Am Chem Soc. 2001 Dec 19;123(50):12568-77. doi: 10.1021/ja010599i. J Am Chem Soc. 2001. PMID: 11741421

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: improta r. 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: improta r. 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. 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: improta r. J Am Chem Soc. 2002 Sep 25;124(38):11531-40. doi: 10.1021/ja020465k. J Am Chem Soc. 2002. PMID: 12236768

10

Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicals.

Improta R, Barone V. Improta R, et al. Chem Rev. 2004 Mar;104(3):1231-54. doi: 10.1021/cr960085f. Chem Rev. 2004. PMID: 15008622 Review. No abstract available.

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