Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
Infrared Linear Dichroism in Stretched Films: Quantum Mechanical Approach Within the Polarizable Continuum Model
2005 Cappelli, Chiara; S., Corni; B., Mennucci; J., Tomasi; R., Cammi
Infrared spectra, integrated band intensities, and anharmonic force field of H2C=CHF
2009 Stoppa, Paolo; Pietropolli Charmet, Andrea; Tasinato, Nicola; Giorgianni, Santi; Gambi, Alberto
The infrared spectrum of water. Basis set dependence at the single and double excitation coupled cluster (CCSD) level of theory
1988 Koch, Henrik; Scuseria, Gustavo E.; Scheiner, Andrew C.; Schaefer III, Henry F.
INHIBITION OF MUSHROOM TYROSINASE AND SOYBEAN LIPOXYGENASE BY REGIOLONE, A PHENOLIC COMPOUND FROM WALNUT HUSKS: A NEW POTENTIAL ADDITIVE FOR PREVENTION OF OXIDATIVE DETERIORATION OF FOOD
2015 Panzella, L.; Napolitano, A.; D'Ischia, M.
Inhibition of neuronal nitric oxide synthase by 6-nitrocatecholamines, putative reaction products of nitric oxide with catecholamines under oxidative stress conditions
2001 A., Palumbo; M., Astarita; D'Ischia, M.
Insights into structural and dynamical features of water at halloysite interfaces probed by DFT and classical molecular dynamics simulations
2016 Presti, Davide; Pedone, Alfonso; Mancini, Giordano; Duce, Celia; Tiné, Maria Rosaria; Barone, Vincenzo
Insights into the interaction between CH2F2 and titanium dioxide: DRIFT spectroscopy and DFT analysis of the adsorption energetics
2015 Scaranto, Jessica; Moro, Daniele; Tasinato, Nicola; Stoppa, Paolo; Giorgianni, Santi
Insights into the mechanism of action of plakortins, simple 1,2-dioxane antimalarials
2010 O., Taglialatela Scafati; E., Fattorusso; A., Romano; F., Scala; Barone, Vincenzo; P., Cimino; E., Stendardo; B., Catalanotti; M., Persico; C., Fattorusso
Integral direct calculation of CC2 excitation energies: singlet excited states of benzene
1996 Christiansen, Ove; Koch, Henrik; Jørgensen, Poul; Helgaker, Trygve
Integral-direct coupled cluster calculations of frequency-dependent polarizabilities, transition probabilities and excited-state properties
1998 Christiansen, Ove; Halkier, Asger; Koch, Henrik; Jørgensen, Poul; Helgaker, Trygve
The integral-direct coupled cluster singles and doubles model
1996 Koch, Henrik; De Merás, Alfredo Sánchez; Helgaker, Trygve; Christiansen, Ove
Integrated Approach for Modeling the Emission Fluorescence of 4-(N,N-Dimethylamino)benzonitrile in Polar Environments
2008 S., Carlotto; A., Polimeno; C., Ferrante; C., Benzi; Barone, Vincenzo
Integrated computational approach to vibrationally resolved electronic spectra: anisole as a test case
2008 Bloino, J.; Biczysko, M.; Crescenzi, O.; Barone, Vincenzo
An integrated computational approach for the modeling of CW-ESR spectra of free radicals in solution
2006 P., Cimino; A., Polimeno; Barone, Vincenzo
Integrated computational approach to modelling physico-chemical processes of biological and technological relevance
2008 Barone, Vincenzo
Integrated computational approaches for spectroscopic studies of molecular systems in the gas phase and in solution: Pyrimidine as a test case
2012 Biczysko, M.; Bloino, J.; Brancato, Giuseppe; Cacelli, I.; Cappelli, Chiara; Ferretti, A.; Lami, A.; Monti, S.; Pedone, A.; Prampolini, G.; Puzzarini, C.; Santoro, F.; Trani, F.; Villani, G.
Integrated computational strategies for UV/vis spectra of large molecules in solution
2007 Barone, Vincenzo; A., Polimeno
An integrated computational tool to model the broadening of absorption bands of flexible dyes in solution: cationic chromophores as test cases
2014 Benassi, Enrico; Cappelli, Chiara; Benedetta, Carlotti; Barone, Vincenzo
Integrated experimental and computational spectroscopy study on p-stacking interaction: the anisole dimer
2010 N., Schiccheri; M., Pasquini; G., Piani; G., Pietraperzia; M., Becucci; M., Biczysko; Barone, Vincenzo
An integrated experimental and quantum-chemical investigation on the vibrational spectra of chlorofluoromethane
2013 Andrea Pietropolli Charmet, ; Paolo, Stoppa; Tasinato, Nicola; Santi, Giorgianni; Barone, Vincenzo; Malgorzata, Biczysko; Bloino, JULIEN ROLAND MICHEL; Cappelli, Chiara; Ivan, Carnimeo; Cristina, Puzzarini
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