Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Modulation of the Superstructure and Response of Macromolecules through Molecular Interactions and Nanodispersion
2006 Ciardelli, F; Pieroni, O; Bronco, S; Cappelli, Chiara; Ruggeri, G; Pucci, A.
Modulation of π character upon complexation captured by molecular rotation spectra
2022 Zheng, Yang; Yang, Qin; Herbers, Sven; Cheng, Wanying; Jiang, Zhongming; Wang, Hao; Xu, Xuefang; Bloino, JULIEN ROLAND MICHEL; Gou, Qian
Moka: Designing a Simple Scene Graph Library for Cluster-Based Virtual Reality Systems
2014 Salvadori, Andrea; Brogni, Andrea; Mancini, Giordano; Barone, Vincenzo
Molecular Dynamics Simulations of the Self-Assembly of Tetraphenylporphyrin-Based Monolayers and Bilayers at a Silver Interface
2011 Barone, Vincenzo; M., Casarin; D., Forrer; S., Monti; G., Prampolini
Molecular dynamics simulations enforcing nonperiodic boundary conditions: new developments and application to the solvent shifts of nitroxide magnetic parameters
2022 Mancini, Giordano; Fusè, Marco; Lipparini, Filippo; Nottoli, Michele; Scalmani, Giovanni; Barone, Vincenzo
Molecular dynamics simulations in a NpT ensemble using non-periodic boundary conditions
2009 Brancato, Giuseppe; N., Rega; Barone, Vincenzo
The molecular electric quadrupole moment and electric-field-gradient induced birefringence (Buckingham effect) of Cl2
2004 Cappelli, Chiara; U., Ekstrom; A., Rizzo; S., Coriani
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 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 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.
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