LIGABUE, Andrea

LIGABUE, Andrea  

Dipartimento di Economia "Marco Biagi"  

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Risultati 1 - 18 di 18 (tempo di esecuzione: 0.03 secondi).
Titolo Data di pubblicazione Autore(i) File
An efficient coupled Hartree-Fock computational scheme for parity-violating energy differences in enantiomeric molecules 1-gen-2002 M., Gnani; Lazzeretti, Paolo; Ligabue, Andrea; U., Pincelli; A., Soncini
Correlated and gauge invariant calculations of nuclear magnetic shielding constants using the continuous transformation of the origin of the current density approach 1-gen-2003 Ligabue, Andrea; Spa, Sauer; Lazzeretti, Paolo
Correlated-gauge invariant calculations of nuclear magnetic shielding constants using the continuous transformation of the origin of the current density approach. II. Coupled cluster and density-functional theory results for eight small molecules 1-gen-2007 LIGABUE, Andrea; STEPHAN P. A., SAUER; LAZZERETTI, Paolo
Current density maps, magnetizability and nuclear magnetic shielding tensors for anthracene, phenanthrene and triphenylene 1-gen-1999 Ligabue, Andrea; U., Pincelli; Lazzeretti, Paolo; R., Zanasi
Magnetic response of dithiin molecules: is there anti-aromaticity in nature? 1-gen-2003 S., Pelloni; Faglioni, Francesco; A., Soncini; Ligabue, Andrea; Lazzeretti, Paolo
Molecular response to a time-independent non-uniform magnetic-field 1-gen-2004 Faglioni, Francesco; Ligabue, Andrea; S., Pelloni; A., Soncini; Lazzeretti, Paolo
On the resolution of the optical rotatory power of chiral molecules into atomic terms. A study of hydrogen peroxide 1-gen-2002 Ligabue, Andrea; Lazzeretti, Paolo; Mpb, Varela; Mb, Ferraro
On the stabilization of natural L-alpha-amino acids and D-sugars via parity-violating effects. 1-gen-1999 Lazzeretti, Paolo; Ligabue, Andrea; A., Soncini; R., Zanasi
Parity-violating effects in asymmetric chemical reactions: A theoretical study on the CHFClBr molecule 1-gen-2000 Soncini, A.; Ligabue, A.; Lazzeretti, Paolo; Zanasi, Riccardo
Ring current effects on nuclear magnetic shielding of carbon in the benzene molecule 1-gen-2005 Mb, Ferraro; Faglioni, Francesco; Ligabue, Andrea; S., Pelloni; Lazzeretti, Paolo
Ring currents and magnetic properties of s-indacene, an archetypal paratropic, non-antiaromatic molecule 1-gen-2002 R., SORIANO JARTIN; Ligabue, Andrea; A., Soncini; Lazzeretti, Paolo
Ring-current models from the differential Biot-Savart law 1-gen-2004 S., Pelloni; Ligabue, Andrea; Lazzeretti, Paolo
The Leap-frog Effect of Ring Currents in Benzene 1-gen-2002 Ligabue, Andrea; A., Soncini; Lazzeretti, Paolo
The ring-current model of the paratropic pentalene molecule 1-gen-2005 Ig, Cuesta; Ligabue, Andrea; AS de, Meras; Lazzeretti, Paolo
Theoretical determination of magnetic properties of planar benzene isomers 1-gen-2002 Ligabue, Andrea; Lazzeretti, Paolo
Theoretical Determination of Parity-Violating Vibrational Frequency Differences between the Enantiomers of the CHFClBr Molecule 1-gen-2000 R. G., Viglione; R., Zanasi; Lazzeretti, Paolo; Ligabue, Andrea
Theoretical determination of the magnetic properties of 2-pyrone and 4-pyrone, and o-benzoquinone and p-benzoquinone 1-gen-2003 Ligabue, Andrea; Lazzeretti, Paolo
Theoretical results which strengthen the hypothesis of electroweak bioenantioselection 1-gen-1999 R., Zanasi; Lazzeretti, Paolo; Ligabue, Andrea; A., Soncini