E. Scrocco

发表

Electrostatic interaction of a solute with a continuum. A direct utilizaion of AB initio molecular potentials for the prevision of solvent effects

J. Tomasi, S. Miertus, E. Scrocco, 1981 .

Theoretical investigations on the solvation process

G. Alagona, R. Cimiraglia, J. Tomasi, 1972 .

SCF Minimal Basis Set Calculations and Exclusive Orbitals for CN−, HCN, N3−, HN3, NCO−, and HNCO

R. Bonaccorsi, J. Tomasi, E. Scrocco, 1968 .

On a possible catalytic effect of water on some nucleophilic substitution reactions in “Inert” solvents

G. Alagona, J. Tomasi, E. Scrocco, 1978 .

Configuration-interaction calculations for the ground state of OF2, NO2−, CN−: Canonical orbitals and exclusive orbitals

R. Bonaccorsi, J. Tomasi, E. Scrocco, 1969 .

The effect of substitution on the properties of a chemical group

C. Ghio, J. Tomasi, E. Scrocco, 1978 .

Quantum-mechanical studies of environmental effects on biomolecules. I. Hydration of formamide.

G. Alagona, J. Tomasi, E. Scrocco, 2009 .

Double‐ζ LCAO SCF MO Calculations for NO2 and OF2

R. Bonaccorsi, J. Tomasi, E. Scrocco, 1968 .

The effect of substitution on the properties of a chemical group

C. Ghio, J. Tomasi, E. Scrocco, 1980 .

The Effect of Intramolecular Interactions on the Transferability Properties of Localized Descriptions of Chemical Groups

C. Ghio, R. Bonaccorsi, J. Tomasi, 1980 .

The catalytic effect of BF3 on the electrophilic hydrogen exchange reaction in benzene

G. Alagona, J. Tomasi, E. Silla, 1977 .

Electronic structure of friedel crafts catalysts BF3+HF

J. Tomasi, E. Silla, E. Scrocco, 1975 .

“Ab Initio” Calculation of the Quadrupole Coupling Constant of 14N in HCN, FCN, ClCN, HC2CN, CN−, OCN−, SCN− and the Examination of the Townes–Dailey Interpretation in Terms of Exclusive Orbitals

R. Bonaccorsi, J. Tomasi, E. Scrocco, 1969 .

SCF wavefunction for the ground state of CN− and the change of the correlation energy in some simple protonation processes

R. Bonaccorsi, J. Tomasi, E. Scrocco, 1969 .

Electronic Molecular Structure, Reactivity and Intermolecular Forces: An Euristic Interpretation by Means of Electrostatic Molecular Potentials

Jacopo Tomasi, J. Tomasi, E. Scrocco, 1978 .

The electrostatic molecular potential for imidazole, pyrazole, oxazole and isoxazole

Jacopo Tomasi, R. Bonaccorsi, J. Tomasi, 1972 .

New method for the determination of the stability constants of coordination compounds

E. Scrocco, S. Cabani, 1958 .

A representation of the polarization term in the interaction energy between a molecule and a point-like charge

R. Bonaccorsi, J. Tomasi, E. Scrocco, 1976 .

Theoretical investigations on the solvation process

Jacopo Tomasi, Carlo Petrongolo, R. Bonaccorsi, 1971 .

N- versus O-proton affinities of the amide group: Ab initio electrostatic molecular potentials

R. Bonaccorsi, J. Tomasi, E. Scrocco, 1972 .

Quantum Mechanical Interpretation of Nuclear Quadrupole Coupling Data

E. Scrocco, 2007 .

Molecular SCF Calculations for the Ground State of Some Three‐Membered Ring Molecules: (CH2)3, (CH2)2NH, (CH2)2NH2+, (CH2)2O, (CH2)2S, (CH)2CH2, and N2CH2

Jacopo Tomasi, R. Bonaccorsi, J. Tomasi, 1970 .

The molecular electrostatic potentials for the nucleic acid bases: Adenine, thymine, and cytosine

Jacopo Tomasi, Alberte Pullman, R. Bonaccorsi, 1972 .

Ab initio molecular electrostatic potentials

J. Tomasi, E. Scrocco, A. Pullman, 1975 .

An approximate expression of the electrostatic molecular potential in terms of completely transferable group contributions

R. Bonaccorsi, J. Tomasi, E. Scrocco, 1977 .

The Electrostatic Potential of the First Singlet and Triplet Excited States of Thymine

R. Bonaccorsi, J. Tomasi, E. Scrocco, 1974 .

The electrostatic molecular potential as a tool for the interpretation of molecular properties

Jacopo Tomasi, J. Tomasi, E. Scrocco, 1973 .

The properties of the metal complex hydrides

R. Bonaccorsi, J. Tomasi, E. Scrocco, 1979 .

Ab initio study of the amidic bond cleavage by hydroxide(1-) ion in formamide

G. Alagona, J. Tomasi, E. Scrocco, 1975 .

A theoreticalab initio study of the reaction of formation of 2-fluoroethanol from oxirane and HF

G. Alagona, J. Tomasi, E. Scrocco, 1979, Theoretica chimica acta.

A theoreticalab initio study of the reaction of formation of 2-fluoroethanol from oxirane and HF

G. Alagona, J. Tomasi, E. Scrocco, 1979 .

On a possible correlation between globular trichoms and growth factors in some dicotyledons

E. Scrocco, 1992 .

Researches on the Magnetic Deflection of the Hard Component of Cosmic Rays

E. Scrocco, G. C. Wick, M. Conversi, 1945 .

Minimal‐Basis‐Set LCAO–SCF–MO Calculations for the Ground State of O3, NO2–, NOF, and OF2 Molecules

J. Tomasi, E. Scrocco, C. Petrongolo, 1968 .

Multipole expansions of the electrostatic molecular potential

R. Bonaccorsi, R. Cimiraglia, J. Tomasi, 1974 .

The Effects of the Crystal Lattice on the Electronic Distribution of the Nitrite Ion in the Ferroelectric Phase of Na2NO2

C. Ghio, J. Tomasi, E. Scrocco, 1976 .

Structural deformations of the DNA double helix in the first stages of DNA transcription studied with a simple model

R. Bonaccorsi, J. Tomasi, E. Scrocco, 1986 .

Molecular SCF calculations for the ground state of some three-membered ring molecules: Cis and trans diaziridine, oxaziridine and the corresponding imminium ions

R. Bonaccorsi, J. Tomasi, E. Scrocco, 1971 .

An interpretation of the nuclear quadrupole coupling constant for the HCl molecule on the basis of an “ab initio” calculation

J. Tomasi, E. Scrocco, 1964 .

Simple theoretical models for biochemical systems, with applications to DNA

R. Bonaccorsi, J. Tomasi, E. Scrocco, 1985, Journal of Biosciences.

Group contributions to the electrostatic molecular potential

Jacopo Tomasi, R. Bonaccorsi, J. Tomasi, 1976 .