Pepino AJ, Segarra-marti J, Nenov A, Improta R, Garavelli M
Resolving Ultrafast Photoinduced Deactivations in Water-Solvated Pyrimidine Nucleosides
J Phys Chem Lett (ISSN: 1948-7185, 1948-7185electronic, 1948-7185linking), 2017 Apr 20; 8(8): 1777-1783.

Improta R, Santoro F, Blancafort L
Quantum Mechanical Studies on the Photophysics and the Photochemistry of Nucleic Acids and Nucleobases
Chem Rev (ISSN: 0009-2665), 2016; 116(6): 3540-3593.

Roviello GN, Musumeci D, Roviello V, Pirtskhalava M, Egoyan A, Mirtskhulava M
Natural and artificial binders of polyriboadenylic acid and their effect on RNA structure
Beilstein J Nanotech (ISSN: 2190-4286), 2015; 6(1): 1338-1347.

Abbate M, Casella G, Fiore T, Grasso G, Pellerito C, Scopelliti M, Spinella A, Pellerito L
Structural characterization of triorganotin(IV) complexes with sodium fusidate and DFT calculations
J Organomet Chem (ISSN: 0022-328x), 2010 May 1; 695(9): 1405-1413.

Angeli C, Improta R, Santoro F
On the controversial nature of the 1 B-1(u) and 2 B-1(u) states of trans-stilbene: The n-electron valence state perturbation theory approach
J Chem Phys (ISSN: 0021-9606, 0897-690online, 0021-9606printed), 2009 May 7; 130(17): N/D-N/D.

Karunakaran V, Kleinermanns K, Improta R, Kovalenko SA
Photoinduced dynamics of guanosine monophosphate in water from broad-band transient absorption spectroscopy and quantum-chemical calculations
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2009; 131(16): 5839-5850.

Mercier Y, Santoro F, Reguero M, Improta R
The decay from the dark nπ* excited state in uracil: An integrated CASPT2/CASSCF and PCM/TD-DFT study in the gas phase and in water
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2008 Sep 4; 112(35): 10769-10772.

Improta R, Scalmani G, Frisch MJ, Barone V
Toward effective and reliable fluorescence energies in solution by a new state specific polarizable continuum model time dependent density functional theory approach
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2007 Sep 21; 127(7): N/D-N/D.

Santoro F, Barone V, Improta R, Lami A, Olivucci M
Quantum dynamics of ultrafast photoinduced processes in biological molecules
Aip Conf Proc (ISSN: 0094-243x), 2007; 963(2): 667-670.

Santoro F, Barone V, Gustavsson T, Improta R
Solvent effect on the singlet excited-state lifetimes of nucleic acid bases: A computational study of 5-fluorouracil and uracil in acetonitrile and water
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Dec 20; 128(50): 16312-16322.

D'Ambrosio K, Pedone E, Langella E, De Simone G, Rossi M, Pedone C, Bartolucci S
A novel member of the protein disulfide oxidoreductase family from Aeropyrum pernix K1: Structure, function and electrostatics
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2006 Sep 29; 362(4): 743-752.

Improta R, Barone V, Scalmani G, Frisch MJ
A state-specific polarizable continuum model time dependent density functional theory method for excited state calculations in solution
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Sep 7; 125(5): N/D-N/D.

Vogt G, Nuernberger P, Gerber G, Improta R, Santoro F, Nuernberger P, Vogt G, Gerber G, Improta R, Santoro F
Femtosecond study on the isomerization dynamics of NK88. II. Excited-state dynamics
J Chem Phys (ISSN: 0021-9606, 0897-690online), 2006 Jul 28; 125(4): 44512-44512.

Barone V, Newton MD, Improta R
Dissociative electron transfer in donor - Peptide - Acceptor systems: Results for kinetic parameters from a density functional/polarizable continuum model
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2006 Jun 29; 110(25): 12632-12639.

Gustavsson T, Banyasz A, Lazzarotto E, Markovitsi D, Scalmani G, Frisch MJ, Barone V, Improta R
Singlet excited-state behavior of uracil and thymine in aqueous solution: A combined experimental and computational study of 11 uracil derivatives
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2006 Jan 18; 128(2): 607-619.

Picone D, Di Fiore A, Ercole C, Franzese M, Sica F, Tomaselli S, Mazzarella L
The role of the hinge loop in domain swapping - The special case of bovine seminal ribonuclease
Jbc Papers (ISSN: 0021-9258, 1083-351x, 0021-9258linking), 2005 Apr 8; 280(14): 13771-13778.

De Simone G, Menchise V, Alterio V, Mandrich L, Rossi M, Manco G, Pedone C
The crystal structure of an EST2 mutant unveils structural insights on the H group of the carboxylesterase/lipase family
J Mol Biol (ISSN: 0022-2836, 1089-8638, 1089-8638electronic), 2004 Oct 8; 343(1): 137-146.

Improta R, Barone V
Interplay of electronic, environmental, and vibrational effects in determining the hyperfine coupling constants of organic free radicals
Chem Rev (ISSN: 0009-2665), 2004 Mar; 104(3): 1231-1253.

Improta R, Barone V
Assesing the reliability of density functional methods in the conformational study of polypeptides: The treatment of intraresidue nonbonding interactions
J Comput Chem (ISSN: 0192-8651, 1096-987xelectronic), 2004; 25(11): 1333-1341.

Barone V, Formaggio F, Improta R, Polo F, Maran F
Electron transfer to and conformational preferences of Aib oligo-peptides
Proc Electrochem Soc, 2004; 10: 29-32.

Mangiapia G, Accardo A, Celso FL, Tesauro D, Morelli G, Radulescu A, Paduano L
Mixed micelles composed of peptides and gadolinium complexes as tumor-specific contrast agents in MRI: A sans study
J Phys Chem B (ISSN: 1520-6106, 1520-5207, 1520-5207electronic), 2004; 108(45): 17611-17617.

Improta R, Kudin KN, Scuseria GE, Barone V
Structure and magnetic properties of nitroxide molecular crystals by density functional calculations employing periodic boundary conditions
J Am Chem Soc (ISSN: 0002-7863, 0002-2786, 1520-5126), 2002 Jan 9; 124(1): 113-120.