Sfoglia per ???browse.type.metadata.discipline??? Chimica e Geologia
An improved iterative solution to solve the electrostatic problem in the polarizable continuum model
2001 Pomelli, C. S.; Tomasi, J.; Barone, Vincenzo
An in vitro model of DHI-melanin biosynthesis: investigation by ESI and MALDI mass spectrometry
2008 S., Reale; M., Crucianelli; D'Ischia, M; A., Napolitano; A., Pezzella; L., Panzella; F. DE, Angelis.
An innovative computational comparison of exact and centrifugal sudden quantum properties of the N + N-2 reaction
2012 Garcia, E; Laganà, A; Skouteris, Dimitrios
An integrated approach for the interpretation of emission fluorescence of DMABN-Crown derivatives in polar environments
2008 S., Carlotto; R., Riccò; C., Ferrante; M., Maggini; A., Polimeno; C., Benzi; Barone, Vincenzo
An integrated approach to the structure of Sepia Melanin. Evidence for a high proportion of degraded 5,6-dihydroxyindole-2-carboxylic acid units in the pigment backbone
1997 A., Pezzella; D'Ischia, M.; A., Napolitano; Anna, Palumbo; Giuseppe., Prota
An integrated computational protocol for the accurate prediction of EPR and PNMR parameters of nitroxide radicals in solution
2010 Barone, Vincenzo; P., Cimino; A., Pedone
An Integrated Protocol for the Accurate Calculation of Magnetic Interactions in Organic Magnets
2011 Barone, Vincenzo; I., Cacelli; A., Ferretti; S., Monti; G., Prampolini
An Unusual Decarboxylative Maillard Reaction between L-Dopa and glucose under biomimetic conditions: factors governing competition with Pictet-Spengler condensation
2001 Manini, Paola; D'Ischia, Marco; Prota, Giuseppe
An X-ray diffraction and X-ray absorption spectroscopy joint study of neuroglobin
2010 Arcovito, A; Moschetti, T; D'Angelo, P; Mancini, Giordano; Vallone, B; Brunori, M; DELLA LONGA, S.
An: Ab initio study of Cu-based delafossites as an alternative to nickel oxide in photocathodes: Effects of Mg-doping and surface electronic features
2018 Schiavo, Eduardo; Latouche, Camille; Barone, Vincenzo; Crescenzi, Orlando; Muñoz-García, Ana B.; Pavone, Michele
Analysis of L-DOPA and droxidopa binding to human β2-adrenergic receptor
2021 Biswas, A. D.; Catte, A.; Mancini, G.; Barone, V.
ANALYSIS OF MODELS FOR THE ZIEGLER-NATTA STEREOSPECIFIC POLYMERIZATION ON THE BASIS OF NON-BONDED INTERACTIONS AT THE CATALYTIC SITE .1. COSSEE MODEL
1979 Corradini, P; Barone, Vincenzo; Fusco, R; Guerra, G.
ANALYSIS OF MODELS FOR THE ZIEGLER-NATTA STEREOSPECIFIC POLYMERIZATION ON THE BASIS OF NON-BONDED INTERACTIONS AT THE CATALYTIC SITE .2. EDGES, STEPS AND RELIEFS ON THE SURFACE OF LAYERED MODIFICATIONS OF TICL3
1980 Corradini, P; Guerra, G; Fusco, R; Barone, Vincenzo
Analysis of Partition Functions for Metallocenes: Ferrocene, Ruthenocene, and Osmocene
2016 Ferreira da Cunha, T; Calderini, Danilo; Skouteris, Dimitrios
An analysis of the performance of coupled cluster methods for K-edge core excitations and ionizations using standard basis sets
2019 Carbone, J. P.; Cheng, L.; Myhre, R. H.; Matthews, D.; Koch, H.; Coriani, S.
Analytical calculation of full configuration interaction response properties: Application to be
1991 Koch, Henrik; Harrison, Robert J.
Analytical First and Second Derivatives for a Fully Polarizable QM/Classical Hamiltonian
2012 Filippo, Lipparini; Cappelli, Chiara; Giovanni, Scalmani; DE MITRI, Nicola; Barone, Vincenzo
Analytical gradients for MP2, double hybrid functionals, and TD-DFT with polarizable embedding described by fluctuating charges
2015 Carnimeo, Ivan; Cappelli, Chiara; Barone, Vincenzo
Analytical second derivatives of the free energy in solution by polarizable continuum models
1998 Cossi, M.; Barone, Vincenzo
Anharmonic Aspects in Vibrational Circular Dichroism Spectra from 900 to 9000 cm−1 for Methyloxirane and Methylthiirane Published as part of The Journal of Physical Chemistry virtual special issue "Vincenzo Barone Festschrift"
2022 Fuse, M.; Longhi, G.; Mazzeo, G.; Stranges, S.; Leonelli, F.; Aquila, G.; Bodo, E.; Brunetti, B.; Bicchi, C.; Cagliero, C.; Bloino, J.; Abbate, S.
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