Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Anharmonic Computations Meet Experiments (IR, Raman, Neutron Diffraction) for Explaining the Behavior of 1,3,5-Tribromo-2,4,6-trimethylbenzene
2016 Meinnel, Jean; Latouche, Camille; Ghanemi, Soumia; Boucekkine, Abdou; Barone, Vincenzo; Moréac, Alain; Boudjada, Ali
Anharmonic Effects on Vibrational Spectra Intensities: Infrared, Raman, Vibrational Circular Dichroism, and Raman Optical Activity
2015 Bloino, J.; Biczysko, M.; Barone, V.
Anharmonic force field and vibrational dynamics of CH2F2 up to 5000 cm(-1) studied by Fourier transform infrared spectroscopy and state-of-the-art ab initio calculations
2012 Tasinato, Nicola; Regini, Giorgia; Stoppa, Paolo; Pietropolli Charmet, Andrea; Gambi, Alberto
Anharmonic resonances in the CH chromophore overtone spectra of CHBrF2
2011 Charmet, Andrea Pietropolli; Tasinato, Nicola; Stoppa, Paolo; Giorgianni, Santi; Gambi, Alberto
Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds
2013 Ivan, Carnimeo; Cristina, Puzzarini; Tasinato, Nicola; Paolo, Stoppa; Andrea Pietropolli, Charmet; Malgorzata, Biczysko; Cappelli, Chiara; Barone, Vincenzo
Anharmonic vibrational properties by a fully automated second-order perturbative approach
2005 Barone, Vincenzo
Anharmonic vibrational Raman optical activity of methyloxirane : theory and experiment pushed to the limits
2022 Yang, Qin; Kapitan, J.; Bour, Petr; Bloino, Julien Roland Michel
Anharmonicity Effects in the Vibrational CD Spectra of Propylene Oxide
2013 Christian, Merten; Bloino, JULIEN ROLAND MICHEL; Barone, Vincenzo; Yunjie, Xu
Anisotropic molecular packing of soluble C60 fullerenes in hexagonal nanocrystals obtained by solvent vapor annealing
2012 Colle, Renato; Grosso, G; Ronzani, Alberto; Gazzano, M; Palermo, V.
Anomalous evolution of broadband optical absorption reveals dynamic solid state reorganization during eumelanin build-up in thin films
2017 Bonavolonta', Carmela; DE LISIO, Corrado; D'Ischia, Marco; Maddalena, Pasqualino; Manini, Paola; Pezzella, Alessandro; Valentino, Massimo
Antimicrobial action of the cationic peptide, Chrysophsin-3 : a coarse-grained molecular dynamics study
2018 Catte, Andrea; Wilson, Mark R.; Walker, Martin; Oganesyan, Vasily S.
Antioxidant Activities of Hydroxylated Naphthalenes : The Role of Aryloxyl Radicals
2023 Lino, Valeria; Manini, Paola; Galeotti, Marco; Salamone, Michela; Bietti, Massimo; Crescenzi, Orlando; Napolitano, Aelssandra; D'Ischia, Marco
Antitumor agents. 1. Synthesis, Biological evaluation and molecular modeling of 5H-pyrido[3,2-a]phenoxazin-5-one, a new actynomicin D analog with potent antiproliferative activity
2002 Bolognese, A.; Correale, G.; Manfra, M.; Lavecchia, A.; Mazzoni, O.; Novellino, E.; Barone, Vincenzo; LA COLLA, P.; Loddo, R.; Murgioni, C.; Pani, A.; Serra, I.; Setzu, G.
Antitumor agents. 2. Synthesis, structure-activity relationships and biological evaluation of substituted 5H-pyridophenoxazin-5-ones with potent antiproliferative activity
2002 Bolognese, A.; Correale, G.; Manfra, M.; Lavecchia, A.; Mazzoni, O.; Novellino, E.; Barone, Vincenzo; LA COLLA, P.; Loddo, R.
Application of molecular modelling and EPR spectroscopy to lipid membranes - a combined approach
2016 Catte, Andrea; Vasily S., Oganesyan
Applications of density functional theory approaching chemical accuracy to the study of typical carbon-carbon and carbon-hydrogen bonds
1996 Barone, Vincenzo; Fliszar, S.
Un approccio computazionale integrato per la modellizzazione di sistemi molecolari complessi in soluzione
2008 Brancato, Giuseppe; N., Rega; O., Crescenzi; Barone, Vincenzo
Approche statique et dynamique de la réactivité: une étude DFT comparative
2004 L., Joubert; M., Pavone; Barone, Vincenzo; C., Adamo
An approximate quantum mechanical study of the N + O -> NO+ + e- associative ionisation
2013 Skouteris, Dimitrios; Lagana, A; Pirani, F.
Argon broadening of the13CO R(0) and R(7) transitions in the fundamental band at temperatures between 80 and 297 K: Comparison between experiment and theory
2003 Mantz, A. W.; Thibault, F.; Cacheiro, J. L.; Fernandez, B.; Pedersen, T. B.; Koch, H.; Valentin, A.; Claveau, C.; Henry, A.; Hurtmans, D.
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