Sfoglia per Chimica e Geologia
Theory meets experiment for unravelling the C1s X-ray photoelectron spectra of pyridine, 2-fluoropyridine, and 2,6-difluoropyridine
2019 Mendolicchio, M.; Baiardi, A.; Fronzoni, G.; Stener, M.; Grazioli, C.; De Simone, M.; Barone, V.
Thermal Fluctuations on Förster Resonance Energy Transfer in Dyadic Solar Cell Sensitizers: A Combined Ab Initio Molecular Dynamics and TDDFT Investigation
2015 Urzúa-Leiva, Rodrigo A.; Rampino, Sergio; Arratia-Perez, Ramiro; Mosconi, Edoardo; Pastore, Mariachiara; Angelis, Filippo De
Thermal rate coefficients for the astrochemical process C + CH+ → C2++ H by ring polymer molecular dynamics
2016 Rampino, Sergio; Suleimanov, Yury V.
Thermal rate coefficients in collinear versus bent transition state reactions: The N+N2 case study
2008 Laganà, Antonio; Faginas Lago, Noelia; Rampino, Sergio; Huarte-Larrañaga, Fermín; García, Ernesto
Thermochemistry and Kinetics of the OH- and Cl-Initiated Degradation Pathways of the HCFC-132b Atmospheric Pollutant
2023 Tasinato, Nicola; Rais, Nadljib; Salta, Zoi
Thermodynamic features and environmental effects in a two-states molecular device under strict electrochemical control
2009 Zazza, C; Mancini, Giordano; Sanna, N; M. ASCHI, M.
THERMODYNAMIC STUDIES ON THE PROTONATION AND COMPLEX-FORMATION OF NEW TERTIARY AMINO POLYMERS IN AQUEOUS-SOLUTION
1980 Oliva, L; Barbucci, R; Barone, Vincenzo
Thermodynamic study on 8-hydroxyquinoline-2-carboxylic acid as a chelating agent for iron found in the gut of Noctuid larvae
2018 Gama, Sofia; Frontauria, Mariachiara; Ueberschaar, Nico; Brancato, Giuseppe; Milea, Demetrio; Sammartano, Silvio; Plass, Winfried
Thermodynamics and Intermolecular Interactions during the Insertion of Anionic Naproxen into Model Cell Membranes
2021 Rojas-Valencia, Natalia; Gomez, Sara; Nunez-Zarur, Francisco; Cappelli, Chiara; Hadad, Cacier; Restrepo, Albeiro
Thermodynamics of Metal–Acetate Interactions
2024 Jafari, Majid; Li, Zhen; Song, Lin Frank; Sagresti, Luca; Brancato, Giuseppe; Merz, Kenneth M.
THERMODYNAMICS OF PROTONATION AND COMPLEX-FORMATION OF MULTIFUNCTIONAL POLYMERS
1982 Barbucci, R; Casolaro, M; Danzo, N; Beni, Mc; Barone, Vincenzo; Ferruti, P.
THERMODYNAMICS OF PROTONATION OF POLYMERIC BASES WHOSE REPEATING UNITS BEHAVE INDEPENDENTLY
1981 Barbucci, R; Barone, Vincenzo; Ferruti, P; Oliva, L.
THERMODYNAMICS OF PROTONATION OF TETRAMINES WITH DIFFERENT DEGREES OF N-METHYLATION
1981 Barbucci, R; Barone, Vincenzo; Micheloni, M; Rusconi, L.
Thiazolidin-4-one formation. Mechanistic and synthetic aspects of the reaction of imines and mercaptoacetic acid under microwave and conventional heating
2004 A., Bolognese; G., Correale; M., Manfra; A., Lavecchia; E., Novellino; Barone, Vincenzo
Thiol-ene functionalisation of homo- and copolymers of butadiene with L-cysteine derivatives
2010 Lotti, Luca
Thiouracil and related thioureylene compounds as melanoma seekers. Paradigms for a chemical approach to the design of targeting anticancer agents
2000 D'Ischia, M.; Giuseppe., Prota
Thiouracil Antithyroid Drugs as a New Class of Neuronal Nitric Oxide Synthase Inhibitors
2001 Anna, Palumbo; D'Ischia, M.
Three-Dimensional Diabatic Models for the pp*- >np* Excited-State Decay of Uracil Derivatives in Solution
2009 F., Santoro; R., Improta; Barone, Vincenzo
Through bond and through space effects in the magnetic properties of nitroxide biradicals by an integrated QM/MM approach including solvent effects
1999 Barone, Vincenzo; DI MATTEO, A.; Mele, F.; De, P. R. MOREIRA I.; Illas, F.
Time Dependent Density Functional Tight Binding: New Formulation and Benchmark of Excited States
2011 F., Trani; G., Scalmani; G., Zheng; I., Carnimeo; M., Frisch; Barone, Vincenzo
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