Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Quantum Mechanics/Fluctuating Charge Protocol to Compute Solvatochromic Shifts
2021 Ambrosetti, M.; Skoko, S.; Giovannini, T.; Cappelli, C.
Quantum stereodynamics for the two product channels of the F+HD reaction from complete scattering matrix in the stereodirected representation
2009 De Fazio, D.; Skouteris, Dimitrios; Cavalli, S.; Aquilanti, V.
Quantum-chemical ab initio investigation of the vibrational spectrum of halon 1113 and its anharmonic force field: A joint experimental and computational approach
2012 Tasinato, Nicola; Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi; Gambi, Alberto
QUANTUM-MECHANICAL AND ULTRAVIOLET PHOTOELECTRON SPECTROSCOPIC STUDIES OF AZABIPHENYLS - THE CASE OF 4-PHENYLPYRIMIDINE
1984 Barone, Vincenzo; Cauletti, C; Commisso, L; Lelj, F; Piancastelli, Mn; Russo, N.
QUANTUM-MECHANICAL STUDY OF THE CHEMISORPTION OF ATOMIC AND MOLECULAR-OXYGEN ON GRAPHITE CLUSTERS
1986 Barone, Vincenzo; Lelj, F; Iaconis, E; Illas, F; Russo, N; Jounou, A.
Quartic coupled cluster force fields for the diazene isomers
1993 Kobayashi, Rika; Bludský, Ota; Koch, Henrik; Jørgensen, Poul
The Quest for a Plausible Formation Route of Formyl Cyanide in the Interstellar Medium: A State-of-the-art Quantum-chemical and Kinetic Approach
2020 Tonolo, Francesca; Lupi, Jacopo; Puzzarini, Cristina; Barone, Vincenzo
Radiation-induced formation of DNA intrastrand crosslinks between thymine and adenine bases: a theoretical approach
2006 B., Xerri; C., Morell; A., Grand; J., Cadet; P., Cimino; Barone, Vincenzo
Radical cations of DNA bases: some insights on structure and fragmentation patterns by density functional methods
2000 Improta, R.; Scalmani, G.; Barone, Vincenzo
Random-phase calculations of frequency-dependent polarizabilities and hyperpolarizabilities of long polyene chains
1995 Luo, Yi; Gren, Hans; Koch, Henrik; Jorgensen, Poul; Helgaker, Trygve
Rational Design of a Transferrin-Binding Peptide Sequence Tailored to Targeted Nanoparticle Internalization
2017 Santi, Melissa; Maccari, Giuseppe; Mereghetti, Paolo; Voliani, Valerio; Rocchiccioli, Silvia; Ucciferri, Nadia; Luin, Stefano; Signore, Giovanni
RATIONALIZATION OF THE ENTHALPY OF PROTONATION OF POLYAMINES
1979 Barbucci, R; Barone, Vincenzo
Rationalizing the permeation of polar antibiotics into Gram-negative bacteria
2017 Scorciapino, Mariano Andrea; Acosta-Gutierrez, Silvia; Benkerrou, Dehbia; D'Agostino, Tommaso; Malloci, Giuliano; Samanta, Susruta; Bodrenko, Igor; Ceccarelli, Matteo
Reaction between quinone and thiazolidine. A study on the formation mechanism of new antiproliferative quinolindiones
2004 A., Bolognese; G., Correale; M., Manfra; A., Lavecchia; E., Novellino; Barone, Vincenzo
Reaction of dihydrolipoic acid with juglone and related naphthoquinones: unmasking of a spirocyclic 1,3-dithiane intermediate en route to naphtho[1,4]dithiepines
2010 Greco, G.; Panzella, L.; Pezzella, A.; Napolitano, A.; D'Ischia, M.
Reaction of dopamine with D-glyceraldehyde under biomimetic conditions: Stereoselective formation of tetrahydroisoquinolines and rate-accelerating effects of transition metal ions
1999 Manini, Paola; D'Ischia, Marco; Lanzetta, Rosa; M., Parrilli; G., Prota
Reaction of malondialdehyde with amine neurotransmitters. Formation and oxidation chemistry of fluorescent 1,4-dihydropyridine adducts
1995 D'Ischia, M.; Napolitano, A.; Costantini., C.
Reaction of polygodial with primary amines: an alternative explanation to the antifeedant activity
1982 D'Ischia, M.; Prota, G.; Sodano., G.
Reaction-Based, Fluorescent Film Deposition from Dopamine and a Diamine-Tethered, Bis-Resorcinol Coupler
2019 Alfieri, Maria Laura; Iacomino, Mariagrazia; Napolitano, Alessandra; D'Ischia, Marco
Reactions of D-glucose with phenolic amino acids: further insights into the competition between Maillard and Pictet-Spengler condensation pathways
2005 Manini, Paola; Napolitano, Alessandra; D'Ischia, Marco
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