P. Lazzeretti

发表

Calculation of the electric hypershielding at the nuclei of molecules in a strong magnetic field.

M. B. Ferraro, M. Caputo, G. I. Pagola, 2007, The Journal of chemical physics.

Methods of continuous translation of the origin of the current density revisited

P. Lazzeretti, 2012, Theoretical Chemistry Accounts.

Forces at the nuclei of a molecule in the presence of non-uniform electric field

M. Defranceschi, P. Lazzeretti, G. Berthier, 1997 .

Conditions for invariance of molecular magnetic properties in Landau gauge transformations

M. Malagoli, M. Caputo, P. Lazzeretti, 1995 .

LONGITUDINAL VECTOR POTENTIALS FOR MOLECULAR MAGNETIC PROPERTIES

P. Lazzeretti, 1995 .

Electric quadrupole polarizabilities of nuclear magnetic shielding in some small molecules.

M. B. Ferraro, M. Caputo, G. I. Pagola, 2008, The Journal of chemical physics.

Electric Field Gradient Effects on Magnetic Susceptibility

P. Lazzeretti, 2004 .

Electric field gradient effects on nuclear magnetic shieldings

P. Lazzeretti, 2003 .

P. Lazzeretti, A. Ligabue, S. Sauer, 2003 .

Parity-violating contributions to nuclear magnetic shielding

A. Soncini, P. Lazzeretti, F. Faglioni, 2003 .

Theoretical study of magnetic properties of ammonia molecule in nonuniform magnetic field

M. Caputo, P. Lazzeretti, M. Ferraro, 1996 .

Magnetic properties of a molecule in non-uniform magnetic field

P. Lazzeretti, 1993 .

Six questions on topology in theoretical chemistry

D. L. Cooper, R. Carbó-Dorca, A. Savin, 2015 .

Delocalized currents without a ring of bonded atoms: strong delocalized electron currents induced by magnetic fields in noncyclic molecules.

P. Lazzeretti, R. Zanasi, Guglielmo Monaco, 2014, The journal of physical chemistry. A.

Assessment of the CTOCD-DZ method in a hierarchy of coupled cluster methods.

P. Lazzeretti, F. Pawłowski, A. S. de Merás, 2010, Physical chemistry chemical physics : PCCP.

Molecular magnetic properties via formal annihilation of paramagnetic contribution to electronic current density

P. Lazzeretti, R. Zanasi, 1996 .

Coupled Hartree–Fock calculations of origin‐independent magnetic properties of benzene molecule

M. Malagoli, P. Lazzeretti, R. Zanasi, 1995 .

The effects of rotation and vibration on the carbon-13 shielding, magnetizabilities and geometrical parameters of some methane isotopomers

P. Fowler, P. Lazzeretti, R. Zanasi, 1988 .

CALCULATION OF MAGNETIC PROPERTIES OF HF, H2O, NH3, AND CH4 MOLECULES USING A LONGITUDINAL GAUGE FOR THE VECTOR POTENTIAL

M. B. Ferraro, M. Caputo, P. Lazzeretti, 1998 .

General Connections Among Nuclear Electromagnetic Shieldings and Polarizabilities

P. Lazzeretti, 2007 .

Electromagnetic moments and fields induced by nuclear spin, vibrational electric and magnetic field at the nuclei, and nuclear electromagnetic couplings in molecules

P. Lazzeretti, 1989 .

Calculations of the force field of the methane molecule

P. Fowler, P. Lazzeretti, A. J. Sadlej, 1987 .

Quantum mechanical approach to IR intensities via nuclear electric shielding tensors. I. Water

P. Lazzeretti, R. Zanasi, 1985 .

The gradient of a molecular wavefunction and its relation to the nuclear electric shielding

P. Lazzeretti, R. Zanasi, 1985 .

Polarization propagator approach to the dynamic nuclear electric shielding in LiH molecule

P. Lazzeretti, E. Rossi, R. Zanasi, 1983 .

Resolution of alkane molecular polarizabilities into atomic terms

M. Caputo, P. Lazzeretti, M. Ferraro, 1998 .

Theoretical study of the magnetic properties of water molecules in non-uniform magnetic fields

M. Malagoli, M. Caputo, P. Lazzeretti, 1994 .

Calculation of dynamic electric dipole polarizability, nuclear electric shieldings, and their Cauchy moments in benzene

M. Malagoli, P. Lazzeretti, R. Zanasi, 1993 .

Dipole moments and polarizabilities of some substituted pyridine-1-oxides for optoelectronics

G. Tsoucaris, M. Defranceschi, P. Lazzeretti, 1992 .

Virial sum rules for nuclear electric shieldings and geometrical derivatives of dipole and quadrupole molecular moments

M. Malagoli, P. Lazzeretti, R. Zanasi, 1991 .

Coupled Hartree-Fock calculations of the electric dipole polarizability and first hyperpolarizability of some “inorganic benzenes”

J. Tossell, P. Lazzeretti, 1991 .

Coupled Hartree-Fock calculations of atomic polar tensors and the dipole polarisability of the benzene molecule

M. Malagoli, P. Lazzeretti, R. Zanasi, 1990 .

Singularities of magnetic‐field induced electron current density: A study of the ethylene molecule

P. Lazzeretti, E. Rossi, R. Zanasi, 1984 .

Vicinal proton-proton coupling constants

M. Malagoli, P. Lazzeretti, R. Zanasi, 1989 .

Magnetizability and carbon-13 shielding surfaces for the methane molecule

P. Lazzeretti, A. J. Sadlej, R. Zanasi, 1987 .

Vibration-rotation effects on the polarizabilities of CH4 and CD4 calculated from an ab initio polarizability surface

P. Lazzeretti, R. Zanasi, W. T. Raynes, 1988 .

Ab initio calculation of 77Se NMR shielding constants in H2Se and SeF6 and other second-order properties of H2Se

J. Tossell, P. Lazzeretti, 1988 .

Forces on the Nuclei of a Molecule in Optical Fields

P. Lazzeretti, 2006 .

Unified Approach to Intensities in Vibrational Spectroscopies VIA Dynamic Electromagnetic Shieldings at the Nuclei of a Molecule

P. Lazzeretti, 2004 .

Calculation of electric dipole hypershieldings at the nuclei in the Hellmann-Feynman approximation.

T. Helgaker, A. Soncini, P. Lazzeretti, 2004, The Journal of chemical physics.

On the CH bond dipole moment in alkanes

P. Lazzeretti, R. Zanasi, W. T. Raynes, 1987 .

Electromagnetic nuclear shielding tensors and their relation to other second‐order properties: A study of the ammonia molecule

R. Bursi, P. Lazzeretti, R. Zanasi, 1987 .

Analytic dipole moment geometric derivatives from nuclear electric shielding in molecules

P. Lazzeretti, R. Zanasi, 1986 .

Analytic dipole moment geometric derivatives from nuclear electric shielding in molecules. II. Application to two‐heavy atom molecules

P. Lazzeretti, R. Zanasi, 1986 .

Connection between the nuclear electric shielding tensor and the infrared intensity

P. Lazzeretti, R. Zanasi, 1984 .

Structure and properties of C70

P. Fowler, M. Malagoli, J. Baker, 1991 .

Calculation of molecular magnetic properties within the Landau gauge.

M. Malagoli, P. Lazzeretti, M. Ferraro, 1992 .

Computational approach to molecular magnetic properties by continuous transformation of the origin of the current density

M. Malagoli, P. Lazzeretti, R. Zanasi, 1994 .

Theoretical determination of the magnetic properties of HCl, H2S, PH3, and SiH4 molecules

P. Lazzeretti, R. Zanasi, 1980 .

Response tensors for chiral discrimination in NMR spectroscopy

A. Soncini, P. Lazzeretti, R. Zanasi, 2008 .

Geometric approximation to nuclear spin–spin coupling constants in the water molecule

P. Lazzeretti, 1979 .

Anapolar interaction of aminoacids and sugars in nonuniform magnetic fields

P. Lazzeretti, S. Pelloni, 2018, Rendiconti Lincei. Scienze Fisiche e Naturali.

Parity violation energy of 5-pyrimidyl alkanol, a chiral autocatalytic molecule

P. Lazzeretti, G. Pályi, F. Faglioni, 2007 .

Theoretical studies of the benzene molecule: Magnetic susceptibility and nuclear shielding constants

P. Lazzeretti, R. Zanasi, 1981 .

Assessment of aromaticity via molecular response properties

P. Lazzeretti, 2004 .

An interpretation of 1H and 13C chemical shifts in substituted benzenes on the basis of M.O. charge densities

P. Lazzeretti, F. Taddei, 1971 .

Electronic structure of the ground and excited states of beta-carboline.

P. Lazzeretti, J. Sánchez-Marín, A. Sánchez de Merás, 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.

Gauge invariance and origin independence of electronic charge density and current density induced by optical fields.

P. Lazzeretti, 2018, The Journal of chemical physics.

Current density tensors.

P. Lazzeretti, 2018, The Journal of chemical physics.

Bond length dependence of first hyperpolarisabilities in HF and HCl molecules

P. Lazzeretti, E. Rossi, R. Zanasi, 1981 .

Calculation of 33S NMR chemical shieldings for the polysulfur ions S22−, S42+, and S42− and for S2−, H2S, HS−, SO2, and SO42−

J. Tossell, D. Vaughan, P. Lazzeretti, 1987 .

Some mathematical properties of gauge transformations with respect to the Coulomb gauge: Variational analysis of an energy functional

M. C. Mariani, M. B. Ferraro, M. Caputo, 2000 .

Electronic Currents and Anapolar Response Induced in Molecules by Monochromatic Light

P. Lazzeretti, F. Summa, 2021, Chemistry.

Theoretical estimates of the anapole magnetizabilities of C₄H₄X₂ cyclic molecules for X=O, S, Se, and Te.

M. B. Ferraro, P. Provasi, G. I. Pagola, 2014, The Journal of chemical physics.

Nonlinear response of the benzene molecule to strong magnetic fields.

M. B. Ferraro, M. Caputo, G. I. Pagola, 2005, The Journal of chemical physics.

Effects of strong magnetic fields on the electron distribution and magnetisability of rare gas atoms

M. B. Ferraro, M. Caputo, G. I. Pagola, 2004 .

Calculation of the fourth-rank molecular hypermagnetizability of some small molecules.

M. B. Ferraro, M. Caputo, G. I. Pagola, 2004, The Journal of chemical physics.

Magnetic properties of C60 and C70

P. Fowler, M. Malagoli, P. Lazzeretti, 1991 .

Can Induced Orbital Paramagnetism Be Controlled by Strong Magnetic Fields?

M. B. Ferraro, G. I. Pagola, P. Lazzeretti, 2009, Journal of chemical theory and computation.

Fourth-rank hypermagnetizability of medium-size planar conjugated molecules and fullerene

M. Caputo, G. I. Pagola, P. Lazzeretti, 2005 .

Ab initio calculations of atomic polar and axial tensors for HR, H sub 2 O, NH sub 3 , and CH sub 4

P. Stephens, R. Amos, K. Jalkanen, 1990 .

Nuclear shielding tensors, atomic polar and axial tensors, and vibrational dipole and rotational strengths of NHDT

P. Stephens, K. Jalkanen, P. Lazzeretti, 1989 .

Calculation of the fourth-rank nuclear magnetic hypershielding of some small molecules

M. Caputo, G. I. Pagola, P. Lazzeretti, 2006 .

Critique of the multipath model for 1J(C,C) nuclear spin-spin coupling via electron current induced by 13C nuclear magnetic dipoles.

A. Soncini, P. Lazzeretti, 2006, Chemphyschem : a European journal of chemical physics and physical chemistry.

Sum rules for invariance of the fourth-rank hypermagnetisability in a gauge translation

P. Lazzeretti, I. G. Pagola, C. Caputo, 2005 .

Calculation of electric dipole hypershieldings at the nuclei in diatomic molecules

M. Caputo, P. Lazzeretti, 2002 .

Theory of nuclear electric shielding in molecules

P. Lazzeretti, R. Zanasi, 1981 .

Calculations of nuclear electric shielding in molecules

P. Lazzeretti, R. Zanasi, 1980 .

Carbon-proton and proton-proton spin-spin coupling surfaces for the methane molecule

P. Lazzeretti, R. Zanasi, W. T. Raynes, 1989 .

Random phase approximation calculations of K-edge rotational strengths of chiral molecules: propylene oxide

P. Stephens, M. Malagoli, S. Turchini, 1994 .

Calculation of nuclear spin–spin coupling constants in methanol molecule

P. Lazzeretti, 1979 .

Calculation of paramagnetic susceptibilities using electronic atomic axial tensors (or nuclear shielding tensors) and the distributed origin gauge: Ethylene oxide

P. Stephens, K. Jalkanen, P. Lazzeretti, 1989 .

Effects of a static electric field on molecular magnetic properties: an approach using continuous transformation of origin of current density

P. Lazzeretti, 1996 .

Theoretical determination of parity-violating vibrational frequency differences between the enantiomers of the CHFClBr molecule

P. Lazzeretti, A. Ligabue, R. Zanasi, 2000 .

Theory of magnetic susceptibility in terms of atomic quantities

P. Lazzeretti, R. Zanasi, 1986 .

Parity-violation effect on vibrational spectra

P. Lazzeretti, F. Faglioni, 2003 .

Anisotropic nuclear magnetic shielding in footballene (C60)

P. Fowler, M. Malagoli, P. Lazzeretti, 1991 .

First‐order polarization propagator approach to nuclear spin–spin coupling tensors in SiH4 and AlH−4

P. Lazzeretti, E. Rossi, R. Zanasi, 1984 .

Calculation of NMR parameters for bridging oxygens in H3T—O—T′H3 linkages (T, T′=Al, Si, P), for oxygen in SiH3O−, SiH3OH and SiH3OMg+ and for bridging fluorine in H3SiFSiH3+

J. Tossell, P. Lazzeretti, 1988 .

Ab initio and experimental study of NMR coupling constants in bicyclo[1.1.1]pentane

I. J. Lochert, M. Malagoli, P. Lazzeretti, 1995 .

Vicinal proton—proton coupling constants. Basis set dependence in SCF ab initio calculations

M. Malagoli, P. Lazzeretti, R. Zanasi, 1993 .

Calculations of the magnetic shielding constants of heavy nuclei in polyatomic molecules

P. Lazzeretti, R. Zanasi, 1977 .

Calculations of magnetic susceptibility of polyatomic molecules

P. Lazzeretti, R. Zanasi, B. Cadioli, 1977 .

Perturbed Hartree–Fock calculations: Electric and magnetic properties of water in static fields

P. Lazzeretti, R. Zanasi, 1978 .

Ab initio calculation of B and O nuclear quadrupole coupling constants and NMR shielding constants in molecular models for B2O3 glass

J. Tossell, P. Lazzeretti, 1988 .

Calculation of molecular magnetic properties in the isoelectronic series PH2-, PH3 and PH4+

M. Malagoli, M. Caputo, P. Lazzeretti, 1993 .

Theoretical Determination of Paramagnetic Susceptibilities From Nuclear Electromagnetic Shieldings

M. Malagoli, P. Lazzeretti, R. Zanasi, 1991 .

Ab initio coupled Hartree–Fock calculation of the 19F and 33S NMR parameters of SF4

J. Tossell, P. Lazzeretti, 1988 .

Coupled Hartree–Fock calculations of 31P NMR shieldings in phosphorous fluorides and PO3−4

J. Tossell, P. Lazzeretti, 1987 .

Ab initio calculations of oxygen nuclear quadrupole coupling constants and oxygen and silicon NMR shielding constants in molecules containing SiO bonds

J. Tossell, P. Lazzeretti, 1987 .

On the “sagging pattern” of29 Si NMR shieldings in the series SiHaFb, a+b = 4

J. Tossell, P. Lazzeretti, 1986 .

Ab initio calculation of nuclear quadrupole coupling constants and NMR shieldings in SiF4 and BF3

J. Tossell, P. Lazzeretti, 1986 .

Ab initio coupled Hartree-Fock calculation of the 29Si NMR shielding constants in SiH4, Si2H6, Si2H4 and H2SiO

J. Tossell, P. Lazzeretti, 1986 .

Abinitio calculations of 29Si NMR chemical shifts for some gas phase and solid state silicon fluorides and oxides

J. Tossell, P. Lazzeretti, 1986 .

Electronic current density induced by nuclear magnetic dipoles

M. Malagoli, P. Lazzeretti, R. Zanasi, 1994 .

Theoretical studies on the benzene molecule. II. Criticism of the ring current model

P. Lazzeretti, E. Rossi, R. Zanasi, 1982 .

Theoretical determination of the magnetic properties of 2-pyrone and 4-pyrone, and o-benzoquinone and p-benzoquinone

P. Lazzeretti, A. Ligabue, 2003 .

NMR chemical shifts of CX and XCY molecules (X, Y = O, S, Se, Te): A comparison of coupled Hartree-Fock, semi-empirical rex and experimental results

P. Pyykkö, P. Lazzeretti, J. Jokisaari, 1988 .

Rototranslational sum rules for static and dynamic polarisabilities

Benoît Champagne, Paolo Lazzeretti, Olivier Quinet, 2005, Comput. Phys. Commun..

Electric and Magnetic Properties of Molecules

P. Lazzeretti, 2003 .

Gauge invariant calculations of nuclear magnetic shielding constants using the continuous transformation of the origin of the current density approach. II. Density functional and coupled cluster theory.

Paolo Lazzeretti, Stephan P A Sauer, P. Lazzeretti, 2007, The Journal of chemical physics.

Relation between pi-electron localization/delocalization and H-bond strength in derivatives of omicron-hydroxy-schiff bases.

Joanna E. Zachara-Horeglad, P. Lazzeretti, T. M. Krygowski, 2008, The Journal of organic chemistry.

IGLO STUDY OF BENZENE AND SOME OF ITS ISOMERS AND RELATED MOLECULES. SEARCH FOR EVIDENCE OF THE RING CURRENT MODEL

Paolo Lazzeretti, Ulrich Fleischer, Werner Kutzelnigg, 1994 .

Substituent effect on the 1H NMR Spectra of trans aryl methyl oxiranes and arylpropenes

P. Lazzeretti, R. Benassi, F. Taddei, 1973 .

Critical examination of the 1H NMR spectra of aryl epoxides

P. Lazzeretti, F. Taddei, I. Moretti, 1973 .

Chiral discrimination in nuclear magnetic resonance spectroscopy

P. Lazzeretti, 2017, Journal of physics. Condensed matter : an Institute of Physics journal.

Physical achirality in geometrically chiral rotamers of hydrazine and boranylborane molecules

Stefano Pelloni, Marta B. Ferraro, Paolo Lazzeretti, 2021, J. Comput. Chem..

Could Electronic Anapolar Interactions Drive Enantioselective Syntheses in Strongly Nonuniform Magnetic Fields? A Computational Study.

M. B. Ferraro, P. Provasi, G. I. Pagola, 2019, Journal of chemical theory and computation.

Magnetic criteria for aromaticity

P. Lazzeretti, R. Benassi, F. Taddei, 1975 .

Nuclear spin-spin coupling density in molecules

A. Soncini, P. Lazzeretti, 2003 .

Are ring currents still useful to rationalize the benzene proton magnetic shielding?

P. Lazzeretti, R. Zanasi, R. G. Viglione, 2004, Organic letters.

Parity violation energies of C4H4X2 molecules for X = O, S, Se, Te and Po †

P. Lazzeretti, F. Faglioni, S. Pelloni, 2013 .

Topological definition of ring currents.

P. Lazzeretti, 2016, Physical chemistry chemical physics : PCCP.

Dependence of geminal1H−1H and31P−1H spin-spin coupling constants on the specific intramolecular C−H...X interaction

P. Lazzeretti, A. Afonin, R. H. Contreras, 1997 .

Structure, magnetizability, and nuclear magnetic shielding tensors of bis‐heteropentalenes. IV. Dihydrophospholophosphole isomers

Paolo Lazzeretti, Inmaculada García Cuesta, Alfredo M. J. Sánchez De Merás, 2006, J. Comput. Chem..

Current density maps, magnetizability, and nuclear magnetic shielding tensors of bis-heteropentalenes. I. Di-hydro-pyrrolo-pyrrole isomers

P. Lazzeretti, A. S. D. Merás, I. Cuesta, 2003 .

The vibrational spectrum of camphor from ab initio and density functional theory and parity violation in the C–C*–CO bending mode

P. Schwerdtfeger, P. Lazzeretti, Radovan Bast, 2004 .

Calculation of Infrared and Vibrational Circular-dichroism Intensities Via Nuclear Electromagnetic Shieldings

M. Malagoli, P. Lazzeretti, R. Zanasi, 1993 .

Rototranslational sum rules for geometrical derivatives of expectation values

P. Lazzeretti, 1989 .

Orbital hybridization and proton chemical shifts in substituted methanes

P. Lazzeretti, A. Pozzoli, F. Tadde, 1972 .

Theoretical Prediction of the Optical Rotation of Chiral Molecules in Ordered Media: A Computational Study of (R a )-1,3-Dimethylallene, (2R)-2-Methyloxirane, and (2R)-N-Methyloxaziridine

M. Caputo, P. Lazzeretti, S. Pelloni, 2015 .

On the determination of the diagonal components of the optical activity tensor in chiral molecules.

P. Lazzeretti, S. Pelloni, 2014, The Journal of chemical physics.

On the origin independence of the Verdet tensor†

M. Caputo, P. Lazzeretti, S. Coriani, 2013 .

Calculation of the structure, vibrational spectra, and polarizability of boroxine, H3B3O3, a model for boroxol rings in vitreous B2O3

J. Tossell, P. Lazzeretti, 1990 .

Calculations of vertical ionization potentials of CF4 and SiF4 by the green-function method

P. Lazzeretti, R. Zanasi, 1976 .

Chiral discrimination via nuclear magnetic resonance spectroscopy

P. Lazzeretti, F. Faglioni, S. Pelloni, 2013, Rendiconti Lincei.

The abstract GPT and GCPT groups of discrete C,P and T symmetries

P. Lazzeretti, 2017 .

The 1H NMR spectra of quinoline, quinoline N‐oxide, the quinolinium ion and of their monomethyl derivatives

L. Schenetti, P. Lazzeretti, R. Benassi, 1975 .

Geometry distortion of the benzene molecule in a strong magnetic field

M. Caputo, P. Lazzeretti, 2011 .

Coupled Hartree–Fock study of nuclear electric shielding in SF6 molecule

P. Lazzeretti, E. Rossi, R. Zanasi, 1983 .

The nuclear electromagnetic shielding approach to IR and VCD intensities: a theoretical study of ethylene oxide and cyclopropane

P. Lazzeretti, R. Zanasi, T. Prosperi, 1988 .

Diatropicity of tetraazanaphthalenes

Paolo Lazzeretti, Inmaculada García Cuesta, Alfredo M. J. Sánchez De Merás, 2006, J. Comput. Chem..

Theoretical determination of magnetic properties of planar benzene isomers

P. Lazzeretti, A. Ligabue, 2002 .

Further comments on ring currents in five-membered heterocyclic molecules

P. Lazzeretti, F. Taddei, 1974 .

Semi-empirical calculations of the magnetic properties of condensed hydrocarbons. Part 2

P. Lazzeretti, F. Taddei, 1972 .

Semi-empirical MO calculations of nuclear spin coupling constants

P. Lazzeretti, R. Benassi, F. Taddei, 1975 .

Calculation of Hypershielding Contribution to Isotropic Nitrogen Shielding in Strong Magnetic Fields.

M. B. Ferraro, M. Caputo, G. I. Pagola, 2009, Journal of chemical theory and computation.

Near equivalence of axial and equatorial 19F NMR chemical shifts and NQR coupling constants in PF5

J. Tossell, P. Lazzeretti, 1986 .

On the definition of molecular dynamic magnetizability

P. Lazzeretti, 2015, Theoretical Chemistry Accounts.

Molecular response to a time-independent non-uniform magnetic-field

A. Soncini, P. Lazzeretti, A. Ligabue, 2004 .

M. Caputo, P. Lazzeretti, 2003 .

Structure and protonation study of the imidazo [1,2‐a]‐pyrimidine system in 1H nuclear magnetic resonance

L. Schenetti, L. Marchetti, P. Lazzeretti, 1975 .

Uncoupled Hartree-Fock calculation of ring currents in substituted benzenes

P. Lazzeretti, F. Taddei, 1971 .

Topology of Quantum Mechanical Current Density Vector Fields Induced in a Molecule by Static Magnetic Perturbations

P. Lazzeretti, 2016 .

The fast CI method for second-order properties

P. Lazzeretti, G. L. Bendazzoli, F. Ortolani, 1979 .

On the axial chirality of leucoindigo

M. B. Ferraro, P. Provasi, G. I. Pagola, 2023, J. Comput. Chem..

Electronic Currents Induced by Optical Fields and Rotatory Power Density in Chiral Molecules

P. Lazzeretti, R. Zanasi, Guglielmo Monaco, 2021, Molecules.

Computational study of basis set and electron correlation effects on anapole magnetizabilities of chiral molecules

Stefano Pelloni, Marta B. Ferraro, Paolo Lazzeretti, 2016, J. Comput. Chem..

Origin-Independent Densities of Static and Dynamic Molecular Polarizabilities

P. Lazzeretti, R. Zanasi, Guglielmo Monaco, 2021, The journal of physical chemistry letters.

Coupled Hartree-Fock Approach to Electric Hyperpolarizability Tensors in Benzene

M. Malagoli, P. Lazzeretti, R. Zanasi, 1996 .

Theoretical determination of electric polarizability and hyperpolarizabilities of pyridine N-oxide and 4-nitropyridine N-oxide

M. Malagoli, P. Lazzeretti, R. Zanasi, 1993 .

ON THE CALCULATION OF PARITY-VIOLATING ENERGIES IN HYDROGEN PEROXIDE AND HYDROGEN DISULPHIDE MOLECULES WITHIN THE RANDOM-PHASE APPROXIMATION

P. Lazzeretti, R. Zanasi, 1997 .

Electric and magnetic properties of the aromatic sixty-carbon cage

Roberto Zanasi, Paolo Lazzeretti, P. Lazzeretti, 1990 .

Magnetic properties of C60 calculated by continuous transformation of the origin of the current density

Roberto Zanasi, Paolo Lazzeretti, P. Lazzeretti, 1997 .

Charge density and NMR parameters. Aliphatic derivatives

P. Lazzeretti, F. Taddei, 1971 .

Static and optical anapole magnetizabilities and polarizabilities.

P. Lazzeretti, 2020, The Journal of chemical physics.

Anisotropy of the vorticity tensor as a magnetic indicator of aromaticity.

P. Lazzeretti, S. Pelloni, 2019, Physical chemistry chemical physics : PCCP.

Continuity equations for electron charge densities and current densities induced in molecules by electric and magnetic fields.

P. Lazzeretti, 2019, The Journal of chemical physics.

Frequency-dependent current density tensors as density functions of dynamic polarizabilities.

P. Lazzeretti, 2019, The Journal of chemical physics.

Invariance of molecular response properties under a coordinate translation

P. Lazzeretti, 2014 .

Calculation of third-rank molecular hypermagnetizabilities by continuous transformation of the origin of the current density

M. Caputo, P. Lazzeretti, 2002 .

Thomas–Reiche–Kuhn populations in alkanes

M. Caputo, P. Lazzeretti, M. Ferraro, 1999 .

Analytic geometrical derivatives of second-order molecular properties from perturbation theory

P. Lazzeretti, R. Zanasi, 1987 .

Paramagnetic contributions to the NMR shielding constants of 1H and 17O in water by triple perturbation theory

P. Lazzeretti, 1978 .

On the theoretical determination of molecular first hyperpolarizability

P. Lazzeretti, R. Zanasi, 1981 .

Polygonal current model: an effective quantifier of aromaticity on the magnetic criterion.

P. Lazzeretti, S. Pelloni, 2013, The journal of physical chemistry. A.

Magnetotropicity of five-membered heterocyclic molecules

P. Lazzeretti, S. Pelloni, 2007 .

Magnetotropicity of phosphole and its arsenic analogue

P. Lazzeretti, S. Pelloni, 2007 .

Aromaticity: Quo Vadis

G. Frenking, H. Anderson, M. Solà, 2023, Chemical science.

Assessment of σ-Diatropicity of the Cyclopropane Molecule

P. Lazzeretti, R. Zanasi, S. Pelloni, 2007 .

Magnetizabilities of diatomic and linear triatomic molecules in a time-independent nonuniform magnetic field.

M. B. Ferraro, P. Provasi, G. I. Pagola, 2014, The journal of physical chemistry. A.

Chapter 7 - Electronic Current Densities Induced by Magnetic Fields and Nuclear Magnetic Dipoles: Theory and Computation of NMR Spectral Parameters

P. Lazzeretti, 2013 .

Beyond NICS: estimation of the magnetotropicity of inorganic unsaturated planar rings.

P. Lazzeretti, R. Zanasi, Guglielmo Monaco, 2011, Physical chemistry chemical physics : PCCP.

The ring current model of the pentaprismane molecule

Stefano Pelloni, Paolo Lazzeretti, Raphaël Carion, 2011, J. Comput. Chem..

Correlation between the out-of-plane components of magnetizability and central magnetic shielding in unsaturated cyclic molecules.

P. Lazzeretti, S. Pelloni, 2011, The journal of physical chemistry. A.

Stagnation graphs and topological models of magnetic-field induced electron current density for some small molecules in connection with their magnetic symmetry

P. Lazzeretti, S. Pelloni, 2011 .

Topological models of magnetic field induced current density field in small molecules

P. Lazzeretti, R. Zanasi, S. Pelloni, 2009 .

Ring current models for acetylene and ethylene molecules

P. Lazzeretti, S. Pelloni, 2009 .

Topology of magnetic-field induced electron current density in the cubane molecule.

P. Lazzeretti, S. Pelloni, 2008, The Journal of chemical physics.

Relative Weights of σ and π Ring Currents in a Few Simple Monocycles.

P. Lazzeretti, R. Zanasi, Guglielmo Monaco, 2010, Journal of Chemical Theory and Computation.

Topology of magnetic-field-induced current-density field in diatropic monocyclic molecules

P. Lazzeretti, R. Zanasi, F. Faglioni, 2006 .

Ring-current signatures in shielding-density maps

P. Fowler, A. Soncini, P. Lazzeretti, 2005 .

Ring Current Model and Anisotropic Magnetic Response of Cyclopropane.

B. Champagne, P. Lazzeretti, R. Zanasi, 2010, Journal of chemical theory and computation.

Induced orbital paramagnetism and paratropism in closed-shell molecules.

P. Lazzeretti, R. Zanasi, S. Pelloni, 2009, The journal of physical chemistry. A.

Molecular magnetic properties within continuous transformations of origin of the current density

M. Malagoli, F. Piccinini, P. Lazzeretti, 1995 .

On CHF calculations of second-order magnetic properties using the method of continuous transformation of origin of the current density

Massimo Malagoli, Sonia Coriani, Riccardo Zanasi, 1994 .

Stagnation graphs and separatrices of local bifurcations in velocity and current density planar vector fields

P. Lazzeretti, 2019, Rendiconti Lincei. Scienze Fisiche e Naturali.

Magnetic-field induced electronic anapoles in small molecules

P. Lazzeretti, R. Zanasi, Guglielmo Monaco, 2011 .

Polygonal current models for polycyclic aromatic hydrocarbons and graphene sheets of various shapes

Stefano Pelloni, Paolo Lazzeretti, P. Lazzeretti, 2018, J. Comput. Chem..

Understanding the ring current effects on magnetic shielding of hydrogen and carbon nuclei in naphthalene and anthracene

Stefano Pelloni, Paolo Lazzeretti, Inmaculada García Cuesta, 2009, J. Comput. Chem..

Why Downfield Proton Chemical Shifts Are Not Reliable Aromaticity Indicators

A. Soncini, P. Lazzeretti, M. Ferraro, 2005 .

Interpretation of vicinal spin–spin coupling constants in ethane via the current-density induced by nuclear magnetic dipoles

A. Soncini, P. Lazzeretti, 2005 .

Understanding proton magnetic shielding in the benzene molecule

M. B. Ferraro, P. Lazzeretti, R. Zanasi, 2004 .

Why downfield proton chemical shifts are not reliable aromaticity indicators.

A Soncini, A. Soncini, P. Lazzeretti, 2005, Organic letters.

Assessment of the Performance of DFT Functionals Using Off-Diagonal Hypervirial Relationships

P. Lazzeretti, R. Zanasi, Guglielmo Monaco, 2021, 2102.07603.

On the stabilization of natural L-enantiomers of α-amino acids via parity-violating effects

P. Lazzeretti, R. Zanasi, 1998 .

Parity violation energy of biomolecules – II: DNA

Paola D'Agostino, P. Lazzeretti, F. Faglioni, 2005 .

Ring Currents and Magnetic Properties of s-Indacene, an Archetypal Paratropic, Non-Antiaromatic Molecule

A. Soncini, P. Lazzeretti, A. Ligabue, 2002 .

From pentalene to dicyclopenta[b,g]naphthalene, or the change towards delocalized structures.

Sonia Coriani, Paolo Lazzeretti, P. Lazzeretti, 2006, Chemphyschem : a European journal of chemical physics and physical chemistry.

Localisation and reversal of paratropic ring currents in molecules with formal anti-aromatic electron countsPresented at the ESF Exploratory Workshop: New Perspectives on Aromaticity, Exeter, UK, July 5?9, 2003.

Patrick W. Fowler, Paolo Lazzeretti, Remco W. A. Havenith, 2004 .

Parity Violation Energy Of Biomolecules – I: Polypeptides

A. Passalacqua, P. Lazzeretti, F. Faglioni, 2005, Origins of Life and Evolution of Biospheres.

An efficient coupled Hartree-Fock computational scheme for parity-violating energy differences in enantiomeric molecules

A. Soncini, P. Lazzeretti, A. Ligabue, 2002 .

Chapter 29 – On the Stabilization of Natural l-α-Amino Acids and d-Sugars via Parity-Violating Effects

A. Soncini, P. Lazzeretti, A. Ligabue, 1999 .

Origin independent current density vector fields induced by time-dependent magnetic field. I. The LiH molecule.

P. Lazzeretti, R. Zanasi, Guglielmo Monaco, 2022, The Journal of chemical physics.

Dynamic toroidizability as ubiquitous property of atoms and molecules in optical electric fields.

P. Lazzeretti, R. Zanasi, Guglielmo Monaco, 2022, The Journal of chemical physics.

Assessment of the performance of DFT functionals in the fulfillment of off-diagonal hypervirial relationships.

P. Lazzeretti, R. Zanasi, Guglielmo Monaco, 2021, Physical chemistry chemical physics : PCCP.

Gauge invariance of the nuclear spin/electron orbit interaction and NMR spectral parameters.

P. Lazzeretti, 2012, The Journal of chemical physics.

Invariance of magnetic-field induced current density to a continuous transformation of the origin of the coordinate system

A. Soncini, P. Lazzeretti, R. Zanasi, 2006 .

Magnetic response of dithiin molecules: is there anti-aromaticity in nature?

A. Soncini, P. Lazzeretti, A. Ligabue, 2003 .

The leap-frog effect of ring currents in benzene.

A. Soncini, P. Lazzeretti, A. Ligabue, 2002, Journal of the American Chemical Society.

The validity of Musher's model for the magnetic properties of aromatic molecules

P. Lazzeretti, R. Zanasi, 1983 .

Uncoupled Hartree-Fock perturbation theory for the density matrix: the second-order properties of conjugated molecules

P. Lazzeretti, 1974 .

Inconsistency of the ring-current model for the cyclopropenyl cation

P. Lazzeretti, R. Zanasi, 1981 .

Ring current model of the naphthalene molecule

P. Lazzeretti, R. Zanasi, 1997 .

Paramagnetic vortices and proton magnetic shielding in aromatic molecules

P. Lazzeretti, E. Rossi, R. Zanasi, 1982 .

Calculations of proton magnetic shielding constants in polyatomic molecules

P. Lazzeretti, R. Zanasi, 1978 .

Variable temperature n.m.r. behaviour of 1,5-benzodiazepinones and 1,5-benzodiazepinthiones

P. Lazzeretti, R. Benassi, F. Taddei, 1976 .

Magnetic properties and induced current density in acetylene

P. Lazzeretti, E. Rossi, R. Zanasi, 1984 .

The ring-current model of the paratropic pentalene molecule

P. Lazzeretti, A. S. D. Merás, A. Ligabue, 2005 .

On the use of symmetry in first‐order perturbed Hartree–Fock theory

P. Lazzeretti, 1978 .

Coupled Hartree-Fock calculations of magnetic properties of the benzene molecule: estimate of the hartree-fock limit for magnetic susceptibilities and

M. Malagoli, P. Lazzeretti, R. Zanasi, 1991 .

Anisotropy of the nuclear spin–spin coupling tensor in water, ammonia, and methane molecules

P. Lazzeretti, R. Zanasi, 1982 .

On the use of symmetry in first‐order perturbed HF theory. II

P. Lazzeretti, R. Zanasi, 1979 .

Calculations of electric dipole polarizabilities of polyatomic molecules

P. Lazzeretti, B. Cadioli, U. Pincelli, 1976 .

Anisotropic dispersion forces in methane mixtures

P. Fowler, P. Lazzeretti, R. Zanasi, 1989 .

Theoretical determination of the nuclear spin–spin coupling tensors in NH−2, NH+4, BH−4 molecular ions

P. Lazzeretti, E. Rossi, F. Taddei, 1982 .

Proximity effects on nuclear spin-spin coupling constants. 1. 1J(CH) couplings in the vicinity of an atom bearing lone pairs

M. Malagoli, P. Lazzeretti, J. Dannenberg, 1994 .

Spatial ring current model for the prismane molecule.

P. Lazzeretti, S. Pelloni, 2008, The journal of physical chemistry. A.

Current Density Maps, Magnetizability, and Nuclear Magnetic Shielding Tensors for Anthracene, Phenanthrene, and Triphenylene

P. Lazzeretti, A. Ligabue, R. Zanasi, 1999 .

The intermolecular electrostatic and magnetic effects of the carbonyl group on the shielding constant of proton

P. Lazzeretti, F. Taddei, G. Monari, 1973 .

Coupled and uncoupled Hartree-Fock calculations of ring currents and proton chemical shifts: the aromatic character of five-membered heterocycles

P. Lazzeretti, F. Taddei, E. Corradi, 1973 .

Resolution of molecular magnetic susceptibility into atomic terms

P. Lazzeretti, R. Zanasi, 1985 .

On the Chan-Das gauge for the calculation of molecular magnetizabilities.

P. Lazzeretti, 2012, The Journal of chemical physics.

Ring current effects on nuclear magnetic shielding of carbon in the benzene molecule

P. Lazzeretti, M. Ferraro, A. Ligabue, 2005, Magnetic resonance in chemistry : MRC.

Ring-current models from the differential Biot-Savart law.

P. Lazzeretti, A. Ligabue, A Ligabue, 2004, Organic letters.

Thomas–Reiche–Khun populations in X–CH3 and X–C2H5 series of molecules

M. B. Ferraro, M. Caputo, P. Lazzeretti, 2000 .

Bond length dependence of the electric properties of lithium hydride

P. Lazzeretti, E. Rossi, R. Zanasi, 1982 .

Calculations of electric dipole hyperpolarizability of polyatomic molecules

P. Lazzeretti, R. Zanasi, 1976 .

Two methods of computing molecular dipole and quadrupole derivatives

P. Fowler, P. Lazzeretti, R. Zanasi, 1988 .

Ab initio calculation of the 31P NMR shielding tensor for the series POaFb−(2a+b−5), a+b=4 and for HPO42−

J. Tossell, P. Lazzeretti, 1987 .

On the aromatic character of 1,2-Dihydro-1,2-azaborine according to magnetic criteria

B. Champagne, P. Lazzeretti, D. Bonifazi, 2010 .

Molecular Magnetic Properties

P. Lazzeretti, 2002 .

Chapter 5 Molecular Magnetic Properties

P. Lazzeretti, 2003 .

Rototranslational and Virial Sum Rules for Geometrical Derivatives of Second-Order Properties and Nuclear Electric Hypershieldings

M. Defranceschi, P. Lazzeretti, G. Berthier, 1995 .

Origin-Independent Dynamic Polarizability Density from Coupled Cluster Response Theory

P. Lazzeretti, S. Coriani, F. Summa, 2023, Journal of chemical theory and computation.

Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide: A basis set and correlation study

Marta B. Ferraro, Paolo Lazzeretti, Stephan P. A. Sauer, 2012, J. Comput. Chem..

Calculation of the diamagnetic spin‐orbit contribution to the nuclear spin–spin coupling tensors in the water molecule

P. Lazzeretti, E. Rossi, R. Zanasi, 1983 .

Anisotropy of the nuclear spin coupling in PH−2, PH3, and PH+4 molecules

P. Lazzeretti, E. Rossi, F. Taddei, 1982 .

The theory of sternheimer shielding in molecules in external fields

P. Fowler, P. Lazzeretti, E. Steiner, 1989 .

On the resolution of the optical rotatory power of chiral molecules into atomic terms. A study of hydrogen peroxide

P. Lazzeretti, M. Ferraro, A. Ligabue, 2002 .

Proton chemical shift-charge density correlations for positions in substituted benzenes.

P. Lazzeretti, F. Taddei, 1970 .

Proton chemical shift-charge density correlations in substituted alkyl derivatives.

P. Lazzeretti, F. Taddei, 1969 .

Tests of accuracy for computed magnetic properties via off-diagonal hypervirial relations.

P. Lazzeretti, 2020, The Journal of chemical physics.

Gauge invariance of the nuclear spin/electron orbit interaction and NMR spectral parameters.

P. Lazzeretti, 2012, The Journal of chemical physics.

On the existence of a natural common gauge-origin for the calculation of magnetic properties of atoms and molecules via gaugeless basis sets.

P. Lazzeretti, S. Pelloni, 2012, The Journal of chemical physics.

THEORETICAL DETERMINATION OF THE MAGNETIC PROPERTIES OF HYDROGEN CHLORIDE, HYDROGEN SULFIDE, PHOSPHINE AND SILANE MOLECULES

P. Lazzeretti, R. Zanasi, 1980 .

Shielding in Small Molecules

M. Malagoli, P. Lazzeretti, R. Zanasi, 2007 .

Resolution of molecular polarizabilities of CH3–X and CH3–CH2–X derivatives into atomic terms

M. Caputo, P. Lazzeretti, M. Ferraro, 2001 .

Shielding polarizabilities via continuous transformation of the origin of the current density in the set of small molecules: H2O2,F2,H2C2,H2CO,NH3, HCN, and HNC

M. Caputo, P. Lazzeretti, M. Ferraro, 2000 .

Theoretical study of magnetic properties of ammonia molecule in nonuniform magnetic field

M. Caputo, P. Lazzeretti, M. Ferraro, 1996 .

Ab initio coupled Hartree-Fock calculation of the phosphorus-31 NMR shielding constants in phosphorus molecules (P4 and P2) and phosphorous nitride (PN)

J. Tossell, P. Lazzeretti, 1987 .

A proof of pitzer's theorem for abelian groups and its application to two-electron integral transformation

P. Lazzeretti, R. Zanasi, Elda Rossi, 1980 .

Calculation of dipole-shielding polarizabilities (sigma(alphabetagamma)I): the influence of uniform electric field effects on the shielding of backbone nuclei in proteins.

C. Domene, P. Lazzeretti, C. Redfield, 2003, Journal of the American Chemical Society.