Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Molecular spectroscopy of aqueous solutions: a theoretical perspective
2020 Giovannini, Tommaso; Egidi, Franco; Cappelli, Chiara
Molecular structure and spectroscopic signatures of acrolein: theory meets experiment
2014 Puzzarini, Cristina; Penocchio, Emanuele; Biczysko, MALGORZATA AGNIESZKA; Barone, Vincenzo
The molecular structure of ferrocene
1996 Koch, Henrik; Jørgensen, Poul; Helgaker, Trygve
Molecular synthons for accurate structural determinations: The equilibrium geometry of 1-chloro-1-fluoroethene
2019 Gambi, Alberto; Pietropolli Charmet, Andrea; Stoppa, Paolo; Tasinato, Nicola; Ceselin, Giorgia; Barone, Vincenzo
A molecular twist on hydrophobicity
2021 Gomez, S.; Rojas-Valencia, N.; Gomez, S. A.; Cappelli, C.; Merino, G.; Restrepo, A.
Monitoring AGNs and transient sources with the Wide Field X-ray Telescope
2012 Paolillo, M.; VIEIRA PINTO, Sandra Mónica; Allevato, V.; de Martino, D.; della Valle, M.; Papadakis, I.; Wfxt, Collaboration
Multi-level coupled cluster theory
2014 Myhre, Rolf H.; Sánchez De Merás, Alfredo M. J.; Koch, Henrik
A Multifrequency Virtual Spectrometer for Complex Bio-Organic Systems: Vibronic and Environmental Effects on the UV/Vis Spectrum of Chlorophyll a
2014 Barone, V.; Biczysko, M.; Borkowska-Panek, M.; Bloino, J.
Multifunctional Glycoconjugates for Recruiting Natural Antibodies against Cancer Cells
2019 Liet, B.; Laigre, E.; Goyard, D.; Todaro, B.; Tiertant, C.; Boturyn, D.; Berthet, N.; Renaudet, O.
Multifunctional Thin Films and Coatings from Caffeic Acid and a Cross-Linking Diamine
2017 Iacomino, Mariagrazia; Paez, Julieta I; Avolio, Roberto; Carpentieri, Andrea; Panzella, Lucia; Falco, Geppino; Pizzo, Elio; Errico, MARIA ELENA; Napolitano, Alessandra; Del Campo, Aranzazu; D'Ischia, Marco
Multigrid QM/MM approaches in ab initio molecular dynamics
2006 Laino, Teodoro
Multilevel CC2 and CCSD Methods with Correlated Natural Transition Orbitals
2020 Folkestad, S. D.; Koch, H.
The multilevel CC3 coupled cluster model
2016 Myhre, Rolf H.; Koch, Henrik
Multilevel Density Functional Theory
2021 Marrazzini, Gioia; Giovannini, Tommaso; Scavino, Marco; Egidi, Franco; Cappelli, Chiara; Koch, Henrik
Multiple basis sets in calculations of triples corrections in coupled-cluster theory
1997 Klopper, Wim; Noga, Jozef; Koch, Henrik; Helgaker, Trygve
Multiple evidence for an early age pro-oxidant state in Down Syndrome patients
2006 PALLARDO F., V; Degan, P; D'Ischia, Marco; KELLY F., J; Zatterale, A; Calzone, R; Castello, G; FERNANDEZ DELGADO, R; Dunster, C; Lloret, A; Manini, Paola; PISANTI M., A; Vuttariello, E; Pagano, G.
Multiple Facets of Modeling Electronic Absorption Spectra of Systems in Solution
2023 Gómez, Sara; Giovannini, Tommaso; Cappelli, Chiara
Multiple involvement of oxidative stress in werner syndrome phenotype
2005 Pagano, G.; Zatterale, A.; Degan, P.; D'Ischia, M.; Kelly, F. J.; Pallardo, F. V.; Kodama., S.
Multipolar symmetric squaraines with large two-photon absorption cross-sections in the NIR region
2011 Collini, E.; Carlotto, S.; Ferrante, C.; Bozio, R.; Polimeno, A.; Bloino, J.; Barone, Vincenzo; Ronchi, E.; Beverina, L.; Pagani, G. A.
Multireference Perturbation CI methods for solvated systems described within the polarizable continuum model
1999 Mennucci, B; A., Toniolo; Cappelli, Chiara
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