A. Pellégatti

发表

Theoretical study of the intramolecular CH/π interaction effect on rotation energy barriers in 1-pentene, 2,2′-diisopropyl biphenyl and some amino and nitro derivatives

M. Linares, C. Roussel, A. Pellégatti, 2004 .

Trigonometric polynomial interpolation of quantum mechanical properties by mutual perturbation approach

J. Cizek, J. Paldus, A. Laforgue, 1984 .

An ab initio CI determination of the low-lying electronic states of B3

F. Marinelli, A. Pellégatti, 1989 .

Theoretical Study of the Thermochemistry of Sulfur Molecular Crystals. I. Method and Application to α- and 1D-Polymerized Sulfurs

R. Pellenq, M. Ezzine, A. Pellégatti, 1998 .

On the possible ferromagnetism of a linear chain of boron atoms

J. Malrieu, F. Marinelli, D. Maynau, 1987 .

Peierls instabilities in covalent structures I. Electronic structure, cohesion and the Z = 8 – N rule

J. Gaspard, C. Bichara, F. Marinelli, 1998 .

Electronic structure of potassium clusters (K9, K15, K27) by the SCF X α(LSD) SW method

D. Salahub, A. Pellégatti, B. McMaster, 1983 .

Peierls instabilities in covalent structures

J. Gaspard, F. Marinelli, A. Pellégatti, 1987 .

Theoretical study of the thermochemistry of sulfur molecular crystals II. Lowest energy allotropes of polymeric ω-sulfurs

R. Pellenq, J. Olivier-Fourcade, C. Minot, 1998 .

An iterative semi-empirical method for the study of large-size metal aggregates: Part I. Li, Na, K, Cu and Ag clusters

I. László, A. Julg, A. Pellégatti, 1983 .

Convergence of the Rayleigh‐Schrödinger perturbation expansions for the energy levels of the Pariser‐Parr‐Pople model of the benzene molecule

J. Cizek, J. Paldus, A. Pellégatti, 1974 .

Correlation effects in the PPP model of alternant π‐electronic systems: two‐point Padé approximant approach

J. Cizek, J. Paldus, A. Pellégatti, 1975 .

Determination of the charge distribution in nonmetallic crystals. I. Theory and application to tetrahedrally coordinated solids

F. Marinelli, A. Julg, A. Pellégatti, 1978 .

ADSORPTION OF ARGON IN SILICALITE. A SEMIEMPIRICAL QUANTUM MECHANICAL STUDY OF THE REPULSIVE INTERACTION

R. Pellenq, C. Minot, D. Nicholson, 1995 .

Numerical estimates of the convergence of the Rayleigh‐Schrödinger perturbation expansions for the energy levels of various models of the benzene molecule

J. Cizek, J. Paldus, A. Pellégatti, 1982 .

Relative energies of dioxo mu-oxo molybdenum complexes from various fragmentation strategies.

A. Pellégatti, B. Blaive, H. Arzoumanian, 2003, Chemistry.