Sfoglia per Chimica e Geologia
Molecular electrometer and binding of cations to phospholipid bilayers
2016 Catte, Andrea; Girych, Mykhailo; Javanainen, Matti; Loison, Claire; Melcr, Josef; Miettinen, Markus S.; Monticelli, Luca; Määttä, Jukka; Oganesyan, Vasily S.; Ollila, O H Samuli; Tynkkynen, Joona; Vilov, Sergey
Molecular Interplay of Small Molecules and Calcium Ions with α-Synuclein Revealed by NMR and Molecular Dynamics Simulations
2026 Turchi, Filippo; Turan, Haydar Taylan; Schiavina, Marco; Brancato, Giuseppe; Felli, Isabella C.; Pierattelli, Roberta
Molecular Modelling Of BCRP (ABCG2) Multidrug Resistance Protein And Docking Of New Camptothecin Analogues
2009 Grottesi, A; Mancini, Giordano; Desideri, A; Chillemi, G.
Molecular Perception for Visualization and Computation: The Proxima Library
2020 Lazzari, F.; Salvadori, A.; Mancini, G.; Barone, V.
Molecular properties in solution described with a continuum solvation model
2002 Tomasi, J; Cammi, R.; Mennucci, B.; Cappelli, Chiara; Corni, S.
Molecular Reaction Dynamics in Gases, Liquids and Interfaces: General Discussion
2012 D., Truhlar; S., Sibener; J., Polanyi; D., Nesbitt; J., Bowman; D., Neumark; S., Kable; D., Glowacki; P., Casavecchia; R., Wester; A., Orr Ewing; M., Jordan; S., Falcinelli; F., Crim; H., Vancik; K., Liu; R., Beck; A., Suits; D., Chandler; V., Aquilanti; D., Zhang; N., Balucani; Skouteris, Dimitrios; M., Costes
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 structures with spectroscopic accuracy at DFT cost by the templating synthon approach and the PCS141 database
2025 Lazzari, Franco; Di Grande, Silvia; Crisci, Luigi; Mendolicchio, Marco; Barone, Vincenzo.
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
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