Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia

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Mostrati risultati da 298 a 317 di 1.943
Titolo Data di pubblicazione Autori Tipo File
Building cavities in a fluid or ord-like particles: a contribution to the salvation free energy in isotropic and anisotropic polarizable continuum method. 2005 BARONE, Vincenzo + 1.1 Articolo in rivista
Building-Block Diversity in Polydopamine Underpins a Multifunctional Eumelanin-Type Platform Tunable Through a Quinone Control Point 2013 D'ISCHIA, MARCO + 1.1 Articolo in rivista
A butterfly motion of formic acid and cyclobutanone in the 1:1 hydrogen bonded molecular cluster 2017 Spada, Lorenzo + 1.1 Articolo in rivista
C24: Ring or fullerene? 1998 Koch, Henrik + 1.1 Articolo in rivista
The Cage Structure of Indan-CHF3 is Based on the Cooperative Effects of C-H⋅⋅⋅π and C-H⋅⋅⋅F Weak Hydrogen Bonds 2015 Spada, Lorenzo + 1.1 Articolo in rivista
A calcineurin B-like protein participates in low oxygen signalling in rice 2017 Cardarelli, FrancescoPerata, Pierdomenico + 1.1 Articolo in rivista
Calculated spectroscopic and electric properties of the alkali metal-ammonia complexes from Kn–NH3 to Frn–NH3 (n=0, +1) 2007 BARONE, Vincenzo + 1.1 Articolo in rivista
Calculation and analysis of the harmonic vibrational frequencies in molecules at extreme pressure: Methodology and diborane as a test case 2012 CAPPELLI, Chiara + 1.1 Articolo in rivista
Calculation of EPR parameters of nitroxides in solution by an integrated computational approach 2007 BARONE, Vincenzo + 4.1 Contributo in Atti di convegno
Calculation of frequency-dependent polarizabilities using coupled-cluster response theory 1994 Koch, Henrik + 1.1 Articolo in rivista
Calculation of IR Spectra with a Fully Polarizable QM/MM Approach Based on Fluctuating Charges and Fluctuating Dipoles 2019 Giovannini T.GRAZIOLI, LauraAmbrosetti M.Cappelli C. 1.1 Articolo in rivista
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, GioiaGiovannini, TommasoEgidi, FrancoCappelli, Chiara 1.1 Articolo in rivista
Calculation of Molecular Properties in Solution 2015 EGIDI, FRANCOCAPPELLI, Chiara 2.1 Contributo in volume (Capitolo o Saggio)
Calculation of size-intensive transition moments from the coupled cluster singles and doubles linear response function 1994 Koch, Henrik + 1.1 Articolo in rivista
Calculation of the Raman spectrum of photodissociating H2S around 195 nm 2001 SKOUTERIS, Dimitrios + 1.1 Articolo in rivista
Can TD-DFT calculations accurately describe the excited states Behavior of stacked nucleobases? The cytosine dimer as a test case 2008 BARONE, Vincenzo + 1.1 Articolo in rivista
Can the Resonance Raman Optical Activity Spectrum Display Sign Alternation? 2016 GIOVANNINI, TOMMASOCAPPELLI, Chiara + 1.1 Articolo in rivista
Caratterizzazione di nuovi derivati tetraidroisochinolinici e fruttosamminici per reazione della dopammina e della L-DOPA con il D-glucosio in condizioni biomimetiche 2000 DISCHIA M + 4.1 Contributo in Atti di convegno
Carbon monoxide binding to the heme group at the dimeric interface modulates structure and copper accessibility in the Cu,Zn superoxide dismutase from Haemophilus ducreyi: in silico and in vitro evidences 2012 MANCINI, GIORDANO + 1.1 Articolo in rivista
Carbon nanorings: A challenge to theoretical chemistry 2006 Koch, H. + 1.1 Articolo in rivista
Mostrati risultati da 298 a 317 di 1.943
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