Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
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
Calculation of the Raman spectrum of photodissociating H2S around 195 nm
2001 Skouteris, Dimitrios; Hartke, B; Werner, Hj
Can TD-DFT calculations accurately describe the excited states Behavior of stacked nucleobases? The cytosine dimer as a test case
2008 F., Santoro; Barone, Vincenzo; R., Improta
Can the Resonance Raman Optical Activity Spectrum Display Sign Alternation?
2016 Vidal, Luciano N; Giovannini, Tommaso; Cappelli, Chiara
Caratterizzazione di nuovi derivati tetraidroisochinolinici e fruttosamminici per reazione della dopammina e della L-DOPA con il D-glucosio in condizioni biomimetiche
2000 Manini, P.; Dischia, M; Prota, G
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 Chillemi, Giovanni; De Santis, Serena; Falconi, Mattia; Mancini, Giordano; Migliorati, Valentina; Battistoni, Andrea; Pacello, Francesca; Desideri, Alessandro; D'Angelo, Paola
Carbon nanorings: A challenge to theoretical chemistry
2006 Cuesta, I. García; Pedersen, T. B.; Koch, H.; Sánchez De Merás, A.
Cascade Reaction by Chemo- and Biocatalytic Approaches to Obtain Chiral Hydroxy Ketones and anti 1,3-Diols
2018 Gandolfi, R.; Facchetti, G.; Christodoulou, M. S.; Fuse', M.; Meneghetti, F.; Rimoldi, I.
Catalytic and bulk solvent effects on proton transfer: Formamide as a case study
1997 Adamo, C; Cossi, M; Barone, Vincenzo
Catalytic mechanism of peptidoglycan deacetylase: A computational study
2017 Bhattacharjee, Nicholus; Feliks, Mikolaj; Shaik, Md Munan; Field, Martin J.
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