FAGLIONI, Francesco

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Pubblicazioni (Tutti)

Risultati 1 - 20 di 45 (tempo di esecuzione: 0.001 secondi).

	Titolo	Data di pubblicazione	Autore(i)
1	Why molecules look the way they do in STM: A systematic functional group approach.	1998	C. L., Claypool; N. S., Lewis; Faglioni, Francesco; W. A., Goddard; H. B., Gray; R. A., Marcus
2	Understanding Parity violation in molecular systems	2002	Faglioni, Francesco; Lazzeretti, Paolo
3	Tutorial: Case studies in the use of density functional theory for transition metal systems, with an emphasis on heterogeneous and homogeneous catalysis, metal alloys, and transition metal oxides.	2000	Goddard, Wa; Muller, R; Strachan, A; Kua, J; Faglioni, F; Philipp, D; Feldmann, M; Chakraborty, D; Jang, Yh; Xu, X; Blanco, M; Tang, Y; Cagin, T
4	Tunneling mechanism implications from an STM study of H3C(CH2)15HC=C=CH(CH2)15CH3 on graphite and C14H29OH on MoS2	1999	C. L., Claypool; Faglioni, Francesco; W. A., Goddard; N. S., Lewis
5	Transition states for homogeneous and heterogeneous catalysis, including stereoselective polymerizations and for metathesis.	1998	W. A., Goddard; C., Brandow; C., Kankel; J., Sefcik; Faglioni, Francesco
6	Topology of magnetic-field induced current-density field in diatropic mono-cyclic molecules	2006	Faglioni, Francesco; Lazzeretti, Paolo; Pelloni, Stefano; Zanasi, Riccardo
7	Thermochemistry for hydrocarbon intermediates chemisorbed on metal surfaces: CH{n-m}(CH3)m with n=1, 2, 3 and m >= n on Pt, Ir, Os, Pd, Ph, and Ru	2000	J., Kua; Faglioni, Francesco; W. A., Goddard
8	Theoretical-studies of Metallocene Polymerization Catalysts	1996	W. A., Goddard; C., Brandow; Faglioni, Francesco; E. P., Bierwagen
9	Theoretical Description of the STM Images of Alkanes and Substituted Alkanes Adsorbed on Graphite	1997	Faglioni, Francesco; C. L., Claypool; N. S., Lewis; W. A., Goddard
10	The vibrational spectrum of camphor from ab initio and density functional theory and parity violation in the C-C*-CO bending mode	2004	P., Schwerdtfeger; A., Kuehn; R., Bast; J. K., Laerdahl; Faglioni, Francesco; Lazzeretti, Paolo
11	Stability of Lithium Superoxide LiO(2) in the Gas Phase: Computational Study of Dimerization and Disproportionation Reactions	2010	V. S., Bryantsev; M., Blanco; Faglioni, Francesco
12	Source of Image Contrast in STM Images of Functionalized Alkanes on Graphite: A Systematic Functional Group Approach	1997	C. L., Claypool; Faglioni, Francesco; W. A., Goddard; H. B., Gray; N. S., Lewis; R. A., Marcus
13	Simulation and Design of Materials - Applications to Polymers, Ceramics, Semiconductors, and Catalysis	1994	W. A., Goddard; K. T., Lim; M., Belmares; Y., Guo; X., Chen; Faglioni, Francesco
14	Scanning Tunneling Microscopy of Functional Groups: Substituted Alkanes and Alkanols on Graphite	2001	N. S., Lewis; C. L., Claypool; W. A., GODDARD III; Faglioni, Francesco; H. B., Gray; R. A., Marcus
15	Room-Temperature Lithium Phases from Density Functional Theory	2016	Faglioni, Francesco; Merinov, Boris V.; Goddard, William A.
16	Ring current effects on nuclear magnetic shielding of carbon in the benzene molecule	2005	Mb, Ferraro; Faglioni, Francesco; Ligabue, Andrea; S., Pelloni; Lazzeretti, Paolo
17	Reactivity of methane mono-oxygenase, insights from quantum mechanic studies on synthetic iron model complexex	2001	KNOPS GERRITS, P. P.; P. A., Jacobs; A., Fukuoka; M., Ichikawa; Faglioni, Francesco; W. A., GODDARD III
18	Predicting autoxidation stability of ether- and amide-based electrolyte solvents for Li-air batteries	2012	V. S., Bryantsev; Faglioni, Francesco
19	Parity-Violation Energy of Biomolecules-IV: Protein Secondary Structure	2011	Faglioni, Francesco; I., Garcia Cuesta
20	Parity-Violation Effect on Vibrational Spectra	2003	Faglioni, Francesco; Lazzeretti, Paolo

Dettaglio

Nome completo:

FAGLIONI, Francesco

struttura:

Dipartimento di Scienze Chimiche e Geologiche

settore SSD:

Settore CHIM/02 - Chimica Fisica