Sfoglia per Chimica e Geologia
Bottom-up approach to innovative memory devices: I. Intrinsic and environmental effects on the molecular component
2008 I., Pino; L., Sementa; M., Causà; Barone, Vincenzo
Bottom-up approach to innovative memory devices: II. Molecular adsorption on electrodes and the asymmetric response
2010 I., Pino; M., Causà; Barone, Vincenzo
Boundary condition effects on the dynamic and electric properties of hydration layers
2015 Chandramouli, Balasubramanian; Zazza, Costantino; Mancini, Giordano; Brancato, Giuseppe
Branching ratios for the dissociative decay of triplet H2
1991 Schins, J. M.; Siebbeles, L. D. A.; Los, J.; Van Der Zande, W. J.; Rychlewski, J.; Koch, H.
Breaking the Hydrophobicity of the MscL Pore: Insights into a Charge-Induced Gating Mechanism
2015 Chandramouli, Balasubramanian; DI MAIO, Danilo; Mancini, Giordano; Barone, Vincenzo; Brancato, Giuseppe
Brueckner coupled cluster response functions
1994 Koch, Henrik; Kobayashi, Rika; Jørgensen, Poul
Building cavities in a fluid or ord-like particles: a contribution to the salvation free energy in isotropic and anisotropic polarizable continuum method.
2005 C., Benzi; M., Cossi; R., Improta; Barone, Vincenzo
Building-Block Diversity in Polydopamine Underpins a Multifunctional Eumelanin-Type Platform Tunable Through a Quinone Control Point
2013 Della Vecchia, Nicola Fyodor; Avolio, R; Alfe, M; Errico, Me; Napolitano, Alessandra; D'Ischia, Marco
A butterfly motion of formic acid and cyclobutanone in the 1:1 hydrogen bonded molecular cluster
2017 Evangelisti, Luca; Spada, Lorenzo; Li, Weixing; Blanco, Susana; López, Juan Carlos; Lesarri, Alberto; Grabow, Jens-Uwe; Caminati, Walther
C24: Ring or fullerene?
1998 Jensen, Frank; Koch, Henrik
The Cage Structure of Indan-CHF3 is Based on the Cooperative Effects of C-H⋅⋅⋅π and C-H⋅⋅⋅F Weak Hydrogen Bonds
2015 Favero, Laura B.; Li, Weixing; Spada, Lorenzo; Evangelisti, Luca; Visentin, Giorgio; Caminati, Walther
A calcineurin B-like protein participates in low oxygen signalling in rice
2017 Ho, Viet The; Tran, Anh Nguyet; Cardarelli, Francesco; Perata, Pierdomenico; Pucciariello, Chiara
Calculated spectroscopic and electric properties of the alkali metal-ammonia complexes from Kn–NH3 to Frn–NH3 (n=0, +1)
2007 I. S., Lim; P., Botschwina; R., Oswald; Barone, Vincenzo; H., Stoll; P., Schwerdtfeger
Calculation and analysis of the harmonic vibrational frequencies in molecules at extreme pressure: Methodology and diborane as a test case
2012 Cammi, R; Cappelli, Chiara; Mennucci, B; Tomasi, J.
Calculation of EPR parameters of nitroxides in solution by an integrated computational approach
2007 P., Cimino; M., Pavone; Barone, Vincenzo; S., Carlotto; M., Zerbetto; A., Polimeno
Calculation of frequency-dependent polarizabilities using coupled-cluster response theory
1994 Kobayashi, Rika; Koch, Henrik; Jrgensen, Poul
Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles
2019 Giovannini, T.; Grazioli, Laura; Ambrosetti, M.; Cappelli, C.
Calculation of Linear and Non-linear Electric Response Properties of Systems in Aqueous Solution: A Polarizable Quantum/Classical Approach with Quantum Repulsion Effects
2020 Marrazzini, Gioia; Giovannini, Tommaso; Egidi, Franco; Cappelli, Chiara
Calculation of Molecular Properties in Solution
2015 Egidi, Franco; Cappelli, Chiara
Calculation of size-intensive transition moments from the coupled cluster singles and doubles linear response function
1994 Koch, Henrik; Kobayashi, Rika; De Merás, Alfredo Sanchez; Jørgensen, Poul
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