Sfoglia per Chimica e Geologia
Jet-cooled diode laser spectrum and FTIR integrated band intensities of CF3Br: rovibrational analysis of 2ν5and ν2 + ν3bands near 9 μm and cross-section measurements in the 450–2500 cm−1region
2008 Pietropolli Charmet, A.; Tasinato, N.; Stoppa, P.; Baldacci, A.; Giorgianni, S.
A Journey from Thermally Tunable Synthesis to Spectroscopy of Phenylmethanimine in Gas Phase and Solution
2020 Melli, Alessio; Potenti, Simone; Melosso, Mattia; Herbers, Sven; Spada, Lorenzo; Gualandi, Andrea; Lengsfeld, Kevin G.; Dore, Luca; Buschmann, Philipp; Cozzi, Pier Giorgio; Grabow, Jens-Uwe; Barone, Vincenzo; Puzzarini, Cristina
Joyce and Ulysses: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data
2013 Barone, Vincenzo; Ivo, Cacelli; DE MITRI, Nicola; Licari, Daniele; Susanna, Monti; Giacomo, Prampolini
Kaxiras’s Porphyrin: DFT Modeling of Redox-Tuned Optical and Electronic Properties in a Theoretically-Designed Catechol-Based Bioinspired Platform
2017 Crescenzi, Orlando; D’Ischia, Marco; Napolitano, Alessandra
KINETIC AND CHEMICAL ASSESSMENT OF THE UV/H2O2 TREATMENT OF ANTIEPILEPTIC DRUG CARBAMAZEPINE
2004 D., Vogna; Marotta, Raffaele; Andreozzi, Roberto; Napolitano, Alessandra; D'Ischia, Marco
A kinetic model for molecular diffusion through pores
2016 D'Agostino, Tommaso; Salis, Samuele; Ceccarelli, Matteo
Kinetics and dynamics for chemical reactions in gas phase
2016 Calderini, Danilo
Kinetics and thermodynamics of the hydroxylation products in the photodegradation of the herbicide Metolachlor
2020 Salta, Zoi; Kosmas, Agnie M.; Ventura, Oscar N.
Kohn–Sham fragment energy decomposition analysis
2024 Giovannini, Tommaso
La chimica organica in laboratorio
2002 D'Ischia, M.
La chimica ossidativa del 17b-estradiolo e suoi derivati come via di accesso a nuovi sistemi steroidei di interesse applicativo
2007 P., Manini; Pezzella, A.; Napolitano, A.; D'Ischia, M.
Laboratory measurements and astronomical search for cyanomethanimine
2018 Melosso, M.; Melli, A.; Puzzarini, C.; Codella, Claudio; Spada, L.; Dore, L.; Degli Esposti, C.; Lefloch, B.; Bachiller, R.; Ceccarelli, C.; Cernicharo, J.; Barone, V.
Lack of Visible Chromofore Development in the Pulse RadiolysisOxidation of 5,6-dihydroxyndole-2-carboxylic Acid Oligomers: DFT Investigation and Implications for Eumelanin Absorption Propertiess
2009 A., Pezzella; L., Panzella; O., Crescenzi; A., Napolitano; S., Navaratman; R., Edge; E. J., Land; Barone, Vincenzo; M., D’Ischia
Large scale conformational plasticity in biological macromolecules
2011 Berteotti, Anna
Large scale random phase calculations for direct self-consistent field wavefunctions
1993 Koch, Henrik; Ågren, Hans; Jørgensen, Poul; Helgaker, Trygve; Jensen, Hans Jørgen Aa.
Large-scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene
1996 Christiansen, Ove; Koch, Henrik; Halkier, Asger; Jørgensen, Poul; Helgaker, Trygve; De Merás, Alfredo Sánchez
Large-Scale Electron Correlation Calculations: Rank-Reduced Full Configuration Interaction
2018 Fales, B. S.; Seritan, S.; Settje, N. F.; Levine, B. G.; Koch, H.; Martinez, T. J.
Leveraging Fluorescent Emission to Unitary Yield: Dimerization of Polycyclic Aromatic Hydrocarbons
2019 Miletić, Tanja; Biot, Nicolas; Demitri, Nicola; Brancato, Giuseppe; Kariuki, Benson M.; Bonifazi, Davide
Line-by-line spectroscopic parameters of HFC-32 ro-vibrational transitions within the atmospheric window around 8.2 μm
2018 Tasinato, Nicola; Ceselin, Giorgia; Pietropolli Charmet, Andrea; Stoppa, Paolo; Giorgianni, Santi
Line-mixing effect on NH3line intensities
2013 Aroui, H.; Ben Mabrouk, K.; Boussessi, R.
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