Sfoglia per Autore
Hydrogen bond dynamics of methyl acetate in methanol
2010 Pagliai, Marco; MUNIZ MIRANDA, Francesco; Cardini, Gianni; Righini, Roberto; Schettino, Vincenzo
Competitive solvation and chemisorption in silver colloidal suspensions
2011 Pagliai, Marco; MUNIZ MIRANDA, Francesco; Schettino, Vincenzo; Muniz Miranda, Maurizio
Structural properties of a membrane associated anchor dipeptide
2011 Volkov, V. V.; Chelli, R.; Muniz Miranda, F.; Righini, R.
Spectroscopic properties with a combined approach of ab initio molecular dynamics and wavelet analysis
2011 Pagliai, Marco; Muniz Miranda, Francesco; Cardini, G.; Righini, R.; Schettino, V.
Raman and computational study of solvation and chemisorption of thiazole in silver hydrosol
2011 Muniz Miranda, Maurizio; Pagliai, Marco; Muniz Miranda, Francesco; Schettino, Vincenzo
Wavelet transform for spectroscopic analysis: Application to diols in water
2011 MUNIZ MIRANDA, Francesco; Pagliai, Marco; Cardini, Gianni; Schettino, Vincenzo
Hydrogen bond effects in the vibrational spectra of 1,3-propanediol in acetonitrile: Ab initio and experimental study
2012 Muniz Miranda, F.; Pagliai, Marco; Cardini, G.; Righini, R.
Bifurcated hydrogen bond in lithium nitrate trihydrate probed by ab initio molecular dynamics
2012 Muniz Miranda, Francesco; Pagliai, Marco; Cardini, G.; Righini, R.
Modelling of spectroscopic and structural properties using molecular dynamics
2014 Muniz Miranda, Francesco
Arylsulfonyl Groups: The Best Cyclization Auxiliaries for the Preparation of ATRC γ-Lactams can be Acidolytically Removed
2014 Clark, A. J.; Cornia, Andrea; Felluga, F.; Gennaro, A.; Ghelfi, Franco; Isse, A. A.; Menziani, Maria Cristina; Muniz Miranda, F.; Roncaglia, Fabrizio; Spinelli, D.
SERS and DFT study of copper surfaces coated with corrosion inhibitor
2014 Muniz Miranda, Maurizio; Muniz Miranda, Francesco; Caporali, Stefano
On the opto-electronic properties of phosphine and thiolate-protected undecagold nanoclusters
2014 Francesco Muniz, Miranda; Menziani, Maria Cristina; Pedone, Alfonso
Assessment of Exchange-Correlation Functionals in Reproducing the Structure and Optical Gap of Organic-Protected Gold Nanoclusters
2014 Francesco Muniz, Miranda; Menziani, Maria Cristina; Pedone, Alfonso
Benchmarking TD-DFT against vibrationally resolved absorption spectra at room temperature: 7-aminocoumarins as test cases
2015 MUNIZ MIRANDA, Francesco; Pedone, Alfonso; Battistelli, Giulia; Montalti, Marco; Bloino, Julien; Barone, Vincenzo
SERS effect from Pd surfaces coated with thin films of Ag colloidal nanoparticles
2015 Muniz Miranda, Maurizio; Pergolese, B.; MUNIZ MIRANDA, Francesco; Caporali, S.
DFT and TD-DFT assessment of the structural and optoelectronic properties of an organic-Ag14 nanocluster
2015 Muniz-Miranda, F.; Menziani, M. C.; Pedone, A.
Influence of Silver Doping on the Photoluminescence of Protected AgnAu25–n Nanoclusters: A Time-Dependent Density Functional Theory Investigation
2015 Muniz Miranda, Francesco; Menziani, Maria Cristina; Pedone, Alfonso
Raman and DFT study of methimazole chemisorbed on gold colloidal nanoparticles
2016 Muniz Miranda, Maurizio; Muniz Miranda, Francesco; Pedone, Alfonso
Supercritical CO2 Confined in Palygorskite and Sepiolite Minerals: A Classical Molecular Dynamics Investigation
2016 MUNIZ MIRANDA, Francesco; Lodesani, Federica; Tavanti, Francesco; Presti, Davide; Malferrari, Daniele; Pedone, Alfonso
Assessment of the basis set effect on the structural and electronic properties of organic-protected gold nanoclusters
2016 MUNIZ MIRANDA, Francesco; Menziani, Maria Cristina; Pedone, Alfonso
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