Sfoglia per Autore
CALCULATION OF INFRARED AND VIBRATIONAL CIRCULAR-DICHROISM INTENSITIES VIA NUCLEAR ELECTROMAGNETIC SHIELDINGS
1993 Faglioni, Francesco; Lazzeretti, Paolo; Malagoli, M; Zanasi, Roberto; Prosperi, T.
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
Theoretical-studies of Metallocene Polymerization Catalysts
1996 W. A., Goddard; C., Brandow; Faglioni, Francesco; E. P., Bierwagen
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
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
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
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
MSC/Caltech Collaborations with Industry an Catalysis Technologies
1999 W. A., GODDARD III; Faglioni, Francesco; J., Kua; D., Phillip; M., Feldmann
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
Energetic Stabilization of d-Camphor via Weak Neutral Currents
1999 Lazzeretti, Paolo; R., Zanasi; Faglioni, Francesco
GVB-RP: A reliable MCSCF wave function for large systems
1999 Faglioni, Francesco; W. A., Goddard
Effects of molecular geometry on the STM image contrast of methyl- and bromo-substituted alkanes and alkanols on graphite
1999 C. L., Claypool; Faglioni, Francesco; A. J., Matzger; W. A., Goddard; N. S., Lewis
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
Investigations of heterogeneous and homogeneous transition metal catalysis using density functional theory.
2000 Goddard, Wa; Muller, R; Kua, J; Faglioni, Francesco; Philipp, D.
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
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
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
Understanding Parity violation in molecular systems
2002 Faglioni, Francesco; Lazzeretti, Paolo
Methane Activation by Transition-Metal Oxides, MOx (M=Cr, Mo, W; x=1,2,3)
2002 X., Xu; Faglioni, Francesco; W. A., GODDARD III
Heterogeneous Inhibition of Homogeneous Reactions: Karstedt Catalyzed Hydrosilylation
2002 Faglioni, Francesco; M., Blanco; W. A., GODDARD III; D., Saunders
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