Sfoglia per SSD Settore CHIM/02 - Chimica Fisica
q-AQUA: A Many-Body CCSD(T) Water Potential, Including Four-Body Interactions, Demonstrates the Quantum Nature of Water from Clusters to the Liquid Phase
2022 Q. Yu, C. Qu, P.L. Houston, R. Conte, A. Nandi, J.M. Bowman
QM/ELMO: A Multi-Purpose Fully Quantum Mechanical Embedding Scheme Based on Extremely Localized Molecular Orbitals
2021 G. Macetti, E.K. Wieduwilt, A. Genoni
Qual è la più piccola goccia d'acqua?
2021 M. Ceotto
Qual è la più piccola goccia d'acqua?
2021 M. Ceotto
Quando l’insieme è meglio della somma: nanomateriali ibridi argento-titaniae ed oro-titania per sensori elettroanalitici
2019 L. Falciola, V. Pifferi, A. Testolin
Quantification of the Magnetic Anisotropy of a Single-Molecule Magnet from the Experimental Electron Density
2020 E. Damgaard-Moller, L. Krause, K. Tolborg, G. Macetti, A. Genoni, J. Overgaard
Quantification of “delivered” H2 by a volumetric method to test H2 storage materials
2013 I. Rossetti, G. Ramis
Quantitative determination of alkannins and shikonins in endemic Mediterranean Alkanna species
2014 J. Tappeiner, A. Vasiliou, M. Ganzera, D. Fessas, H. Stuppner, V.P. Papageorgiou, A.N. Assimopoulou
A quantitative measure of halogen bond activation in cocrystallization
2017 L. Carlucci, A. Gavezzotti
Quantitative ranking of crystal packing modes by systematic calculations on potential energies and vibrational amplitudes of molecular dimers
2005 A. Gavezzotti
Quantitative Studies on Electrode Material Properties by Means of the Cavity Microelectrode
2011 C. Locatelli, A. Minguzzi, A. Vertova, P. Cava, S. Rondinini
Quantized Doping of Individual Colloidal Nanocrystals Using Size-Focused Metal Quantum Clusters
2017 B. Santiago-Gonzalez, A. Monguzzi, V. Pinchetti, A. Casu, M. Prato, R. Lorenzi, M. Campione, N. Chiodini, C. Santambrogio, F. Meinardi, L. Manna, S. Brovelli
Quantum studies of Hydrogen dynamics on graphite surfaces
2007 R. Martinazzo
Quantum algorithms for grid-based variational time evolution
2023 P. J Ollitrault, S. Jandura, A. Miessen, I. Burghardt, R. Martinazzo, F. Tacchino, I. Tavernelli
Quantum and Classical Image Charges at Metal Surfaces
2018 G. Fratesi
Quantum and Semiclassical Methods for Molecular Rate Constants and Vibrational Spectra Calculations
2017 M. Ceotto, C. Aieta, F. Gabas, G. Di Liberto, R. Conte
QUANTUM AND SEMICLASSICAL METHODS FOR RATE CONSTANT CALCULATIONS
2018 C.D. Aieta
Quantum Anharmonic Calculations of Vibrational Spectra for Water Adsorbed on Titania Anatase(101) Surface: Dissociative versus Molecular Adsorption
2022 M. Cazzaniga, M. Micciarelli, F. Gabas, F. Finocchi, M. Ceotto
A quantum approximate method for the calculation of thermal reaction rate constants
2016 C.D. Aieta, M. Ceotto
A quantum approximate method for the calculation of thermal reaction rate constants
2016 C.D. Aieta, M. Ceotto
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