PAGOLA, G.I.; PROVASI, P.F.; FERRARO, M.B.; LAZZERETTI, P.

On the axial chirality of leucoindigo

JOURNAL OF COMPUTATIONAL CHEMISTRY; Lugar: new York; Año: 2023 vol. 44 p. 1578 - 1586

GALEANO CARRANO, RAMIRO S.; PROVASI, PATRICIO F.; FERRARO, MARTA B.; ALKORTA, IBON; ELGUERO, JOSÉ; SAUER, STEPHAN P. A.

A Density Functional Theory Study of Optical Rotation in Some Aziridine and Oxirane Derivatives

Chemphyschem; Año: 2021 vol. 22 p. 764 - 774

PAGOLA, GABRIEL I.; FERRARO, MARTA B.; PROVASI, PATRICIO F.; PELLONI, STEFANO; LAZZERETTI, PAOLO

Physical achirality in geometrically chiral rotamers of hydrazine and boranylborane molecules

JOURNAL OF COMPUTATIONAL CHEMISTRY; Lugar: New York; Año: 2021 vol. 2021 p. 1 - 11

ALBANO, JUAN M. R.; JARA, GABRIEL E.; FERNÁNDEZ, M. LAURA; FACELLI, JULIO C.; FERRARO, MARTA B.; PICKHOLZ, MONICA

The Effects of Calcium on Lipid–Protein Interactions and Ion Flux in the Cx26 Connexon Embedded into a POPC Bilayer

JOURNAL OF MEMBRANE BIOLOGY; Año: 2019 vol. 252 p. 451 - 464

ALBANO, JUAN M. R.; FACELLI, JULIO C.; FERRARO, MARTA B.; PICKHOLZ, MONICA

Magnesium interactions with a CX26 connexon in lipid bilayers

JOURNAL OF MOLECULAR MODELING - (Print); Lugar: New York; Año: 2019 vol. 25 p. 232 - 239

ALBANO, JUAN M.R.; GRILLO, DAMIAN; FACELLI, JULIO C.; FERRARO, MARTA B.; PICKHOLZ, MÓNICA

Study of the lamellar and micellar phases of pluronic F127: A molecular dynamics approach

Processes; Lugar: BASEL; Año: 2019 vol. 7 p. 6061 - 60611

PAGOLA, G.I.; FERRARO, M.B.; PROVASI, P.F.; PELLONI, S.; LAZZERETTI, P.

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

JOURNAL OF CHEMICAL THEORY AND COMPUTATION; Lugar: Nueva York; Año: 2019 vol. 15 p. 961 - 971

ALBANO, JUAN M.R.; MUSSINI, NAHUEL; TORIANO, ROXANA; FACELLI, JULIO C.; FERRARO, MARTA B.; PICKHOLZ, MÓNICA

Calcium interactions with Cx26 hemmichannel: Spatial association between MD simulations biding sites and variant pathogenicity

COMPUTATIONAL BIOLOGY AND CHEMISTRY; Lugar: Amsterdam; Año: 2018 vol. 77 p. 331 - 342

PAGOLA, GABRIEL I.; LARSEN, MARTIN A. B.; FERRARO, MARTA; SAUER, STEPHAN P. A.

The influence of relativistic effects on nuclear magnetic resonance spin–spin coupling constant polarizabilities of H2O2, H2S2, H2Se2, and H2Te2

JOURNAL OF COMPUTATIONAL CHEMISTRY; Lugar: Hoboken, New Jersey; Año: 2018 vol. 39 p. 2589 - 2600

GRILLO, DAMIÁN A.; ALBANO, JUAN M. R.; MOCSKOS, ESTEBAN E.; FACELLI, JULIO C.; PICKHOLZ, MÓNICA; FERRARO, MARTA B.

Mechanical properties of drug loaded diblock copolymer bilayers: A molecular dynamics study

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2018 vol. 148 p. 2149011 - 21490110

D. GRILLO; J. ALBANO; E. MOCSKOS; J. FACELLI; M. PICKHOLZ; M. FERRARO

Diblock copolymer bilayers as model for polymersomes: A coarse grain approach

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2017 vol. 146 p. 2449041 - 2449048

PELLONI, S.; PROVASI, P.F.; PAGOLA, G.I.; FERRARO, M.B.; LAZZERETTI, P.

Electric Dipole-Magnetic Dipole Polarizability and Anapole Magnetizability of Hydrogen Peroxide as Functions of the HOOH Dihedral Angle

JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: Nueva York; Año: 2017 vol. 121 p. 9369 - 9376

N. ZARYCZ; P. PROVASI; G. I. PAGOLA; M. B. FERRARO; S. PELLONI; P. LAZZERETTI

Computational Study of Basis Set and Electron Correlation

JOURNAL OF COMPUTATIONAL CHEMISTRY; Lugar: New York; Año: 2016 vol. 37 p. 1552 - 1558

ANTHONY M. REILLY; ........................; MARTA B. FERRARO; ........................

Report on the Sixth Blind Test of Organic Crystal-Structure Prediction Methods

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE; Lugar: Londres; Año: 2016

CARLA I. NIETO; PILAR CABILDO; ROSA M. CLARAMUNT; PILAR CORNAGO; DIONISIA SANZ; M. CARMEN TORRALBA; M. ROSARIO TORRES; M. FERRARO; IBON ALKORTA; M. MARÍN LUNA; JOSÉ ELGUERO

The structure of b-diketones related to curcumin determined by X-ray crystallography, NMR (solution and solid state) and theoretical calculations

STRUCTURAL CHEMISTRY; Lugar: New York; Año: 2016 p. 705 - 730

CARLA I. NIETO; PILAR CABILDO; ROSA M. CLARAMUNT; PILAR CORNAGO; DIONISIA SANZ; M. CARMEN TORRALBA; M. ROSARIO TORRES; M. FERRARO; IBON ALKORTA; M. MARÍN LUNA; JOSÉ ELGUERO

The structure of b-diketones related to curcumin determined by X-ray crystallography, NMR (solution and solid state) and theoretical calculations

STRUCTURAL CHEMISTRY; Lugar: New York; Año: 2015

A. LUND; G. I. PAGOLA; A. ORENDT; M. B. FERRARO,; J. C. FACELLI

Crystal structure prediction from first principles: The crystal structures of glycine

CHEMICAL PHYSICS LETTERS; Lugar: Amsterdam; Año: 2015 vol. 626 p. 20 - 24

IBON ALKORTA; ROSA M. CLARAMUNT; JOSÉ ELGUERO; MARTA B. FERRARO; JULIO C. FACELLI; PATRICIO F. PROVASI; FELIPE REVIRIEGO

The origin of the splitting of 13C and 15N NMR signals of 3(5)-phenyl-5(3)-methylpyrazolium chloride and bromide in the solid state: Quantum Espresso calculations

JOURNAL OF MOLECULAR STRUCTURE; Lugar: Amsterdam; Año: 2014 vol. 1075 p. 551 - 558

MARINA SÁNCHEZ; IBON ALKORTA; JOSÉ ELGUERO; MARTA B. FERRARO; STEPHAN P.A. SAUER

On the transferability of atomic contributions to the optical rotatory power of hydrogen peroxide, methyl hydroperoxide and dimethyl peroxide

MOLECULAR PHYSICS; Lugar: Londres; Año: 2014 vol. 112 p. 1624 - 1632

G. I. PAGOLA; M. B. FERRARO; P. F. PROVASI; S. PELLONI; P. LAZZERETTI

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

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2014 vol. 141 p. 43051 - 43057

A. LUND; A. ORENDT; G. I. PAGOLA; M. B. FERRARO; J. C. FACELLI

Optimization of Crystal Structures of Archetypical Pharmaceutical Compounds: A Plane-Wave DFT‐D Study Using Quantum Espresso

CRYSTAL GROWTH & DESIGN; Lugar: Washington; Año: 2013 vol. 13 p. 2181 - 2189

SEBASTIÁN I. GONZÁLEZ; OFELIA OÑA; MARTA B. FERRARO; JULIO C. FACELLI

Structure and electronic properties of lithium?silicon clusters

Computational and Theoretical Chemistry; Lugar: Amsterdam; Año: 2013 vol. 1024 p. 61 - 68

MARINA SÁNCHEZ; IBON ALKORTA; JOSÉ ELGUERO; MARTA B. FERRARO ; STEPHAN P. A. SAUER

On the transferability of atomic contributions to the optical rotatory power of hydrogenperoxide, methylhydroperoxide and dimethylperoxide.

MOLECULAR PHYSICS; Lugar: Londres; Año: 2013

P. PROVASI; G. I. PAGOLA ; M. B. FERRARO; S. PELLONI ; P. LAZZERETTI

Magnetizabilities of Diatomic and Linear Triatomic Molecules in Time-Independent Nonuniform Magnetic Field

JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: Washington; Año: 2013

FACELLI. J. C.; FERRARO M. B.

From NMR Spectra to Structure

Concepts in Nuclear Magnetic Resonance; Lugar: New York; Año: 2013 vol. 42 p. 261 - 289

ARTUR M. S. SILVA; VERA L. M. SILVA; ROSA M. CLARAMUNT; DOLORES SANTA MARÍA; MARTA B. FERRARO; FELIPE REVIRIEGO; IBON ALKORTA; JOSÉ ELGUERO

The structures of two aldazines: [1,1′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-Ylidene) dinaphthalen-2-ol] (Lumogen) and 2,2′-(1E,1′E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)diphenol (salicylaldazine) in the solid state and in solution

MAGNETIC RESONANCE IN CHEMISTRY; Lugar: Londres; Año: 2013 vol. 51 p. 530 - 540

HANNA KJÆR; MONIA R. NIELSEN; GABRIEL I. PAGOLA; MARTA B. FERRARO; PAOLO LAZZERETTI; STEPHAN P. A. SAUER

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

JOURNAL OF COMPUTATIONAL CHEMISTRY; Lugar: New York; Año: 2012 vol. 33 p. 1781 - 1790

HANNA KJÆR; MONIA R. NIELSEN; GABRIEL I. PAGOLA; MARTA B. FERRARO; PAOLO LAZZERETTI; STEPHAN P. A. SAUER

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

JOURNAL OF COMPUTATIONAL CHEMISTRY; Lugar: New York; Año: 2012 vol. 33 p. 1845 - 1853

I.ALKORTA; J. ELGUERO; P. F. PROVASI; G. I. PAGOLA; M. B. FERRARO

Electric field effects on nuclear magnetic shielding of the 1:1 and 2:1 (homo and heterochiral) complexes of XOOX' (X, X' = H, CH3) with lithium cation and their chiral discrimination

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2011 vol. 135 p. 1041161 - 1041168

D. A. BARDWELL; EL AL; M. B. FERRARO; ET AL

Towards crystal structure prediction of complex organic compounds – a report on the fifth blind test

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE; Lugar: Cambridge; Año: 2011 vol. B67 p. 535 - 551

O. B. OÑA; M. B. FERRARO; J. C. FACELLI

Transition from exo to endo Cu absorption in CuSi n clusters: a genetic algorithms density functional theory study

MOLECULAR SIMULATION; Lugar: Londres; Año: 2011 vol. 37 p. 678 - 688

I. ALKORTA; J. ELGUERO; P. F. PROVASI; M. B. FERRARO

Theoretical Study of the 1:1 and 2:1 (Homo- and Heterochiral) Complexes of XOOX' (X, X' = H, CH3) with Lithium Cation

JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: New York; Año: 2011 vol. 115 p. 7805 - 7810

E. OSORIO; M. B. FERRARO; O. B. OÑA; C. CARDENAS; P. FUENTEALBA; W. TIZNADO

Assembling Small Silicon Clusters Using Criteria of Maximum Matching of the Fukui Functions

JOURNAL OF CHEMICAL THEORY AND COMPUTATION; Lugar: New York; Año: 2011 vol. 7 p. 3995 - 4001

D. BIKIEL; J.M. RAMALLO LÓPEZ; F. G. REQUEJO; O. OÑA; M. B. FERRARO; J. C. FACELLI; F. DOCTOROVICH

Formation of one dimensional linear chains by Ir-Ir bonds in cisdicarbonyldichloroiridate(I)

POLYHEDRON; Lugar: Amsterdam; Año: 2010 vol. 30 p. 221 - 227

G. I. PAGOLA; M. B. FERRARO; S. PELLONI; P. LAZZERETTI; S.P.A. SAUER

Electric field effects on nuclear spin–spin coupling tensors and chiral discrimination via NMR spectroscopy

THEORETICAL CHEMISTRY ACCOUNTS; Lugar: New York; Año: 2010 vol. 129 p. 359 - 366

W. TIZNADO; O. OÑA; M C. CAPUTO; MARTA B. FERRARO; P. FUENTEALBA

Theoretical Study of the Structure and Electronic Properties of Si3On- and Si6On- (n ) 1-6) Clusters. Fragmentation and Formation Patterns

JOURNAL OF CHEMICAL THEORY AND COMPUTATION; Año: 2009 vol. 9 p. 2265 - 2273

G. I. PAGOLA; M. B. FERRARO; P. LAZZERETTI

Can Induced Orbital Paramagnetism Be Controlled by Strong Magnetic Fields?

JOURNAL OF CHEMICAL THEORY AND COMPUTATION; Año: 2009 vol. 5 p. 3049 - 3059

GRAEME M. DAY; TIMOTHY G. COOPER; ,....,; MARTA FERRARO; ET AL.

Significant progress in predicting the crystal structures of small organic molecules – a report on the fourth blind test

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE; Lugar: Singapur; Año: 2009 vol. B65 p. 107 - 125

BOYD, J.; PAGOLA, G.; CAPUTO M.C.; FERRARO, M.; LAZZERETTI, P.

Calculation of hypershielding contributions to isotropic nitrogen shielding in strong magnetic fields

JOURNAL OF CHEMICAL THEORY AND COMPUTATION; Año: 2009 p. 1549 - 1618

SEONAH KIM; ANITA M. ORENDT; MARTA FERRARO; JULIO C. FACELLI

Crystal structure prediction of flexible molecules using parallel genetic algorithms with a standard force field

JOURNAL OF COMPUTATIONAL CHEMISTRY; Año: 2009 p. 1973 - 1985

MARIA C. CAPUTO; OFELIA OÑA; MARTA FERRARO

Theoretical prediction of atomic and electronic structure of neutral Si6Om (m=1-11) clusters

JOURNAL OF CHEMICAL PHYSICS; Lugar: Nueva York; Año: 2009 vol. 130 p. 134115 - 134123

O. OÑA; M. B. FERRARO; J. C. FACELLI

Transition from exo to endo Cu absorption in SinCu clusters: A Genetic Algorithms Density Functional Theory (DFT) Study

Molecular Simulations, Journal of Experimental Nanosciences1745-8099; Lugar: Londres; Año: 2009 vol. 3

M. B. FERRARO,; M. C. CAPUTO; G. I. PAGOLA; P. LAZZERETTI

Electric quadrupole polarizabilities of nuclear magnetic shielding in some small molecules

JOURNAL OF CHEMICAL PHYSICS; Lugar: New york; Año: 2008 vol. 128 p. 441171 - 4411774

M. SÁNCHEZ,; M. B. FERRARO; I.ALKORTA; J. ELGUERO; S.SAUER

Atomic partition of the optical rotatory power of methylhydroperoxide

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2008 vol. 128 p. 643181 - 643188

VICTOR E. BAZTERRA, MATTHEW THORLEY, MARTA B. FERRARO AND JULIO C. FACELLI,

A Distributed Computing Method for Crystal Structure Prediction of Flexible Molecules: An application to N-(2-dimetyl-4,5-dinitrophenyl) acetamide

JOURNAL OF CHEMICAL THEORY AND COMPUTATION; Año: 2007 vol. 3 p. 201 - 207

M. C. CAPUTO, M. B. FERRARO, G. I. PAGOLA, AND P. LAZZERETTI,

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

JOURNAL OF CHEMICAL PHYSICS; Lugar: NEW YORK; Año: 2007 vol. 126 p. 154031 - 154038

P. LAZZERETTI, M. B. FERRARO, G. I. PAGOLA, AND M. C. CAPUTO

Invariance of multipole polarisabilities of nuclear magnetic shielding within the approach of continuous transformation of the origin of the current density

THEORETICA CHIMICA ACTA; Año: 2007 vol. 118 p. 863 - 868

M. FERRARO, N. FURMAN, Y LIU, M. C. MARIANI,

Analysis of intermittence, scale invariance and chracteristic scales in the behavior of major indices near a crash

PHYSICA A - STATISTICAL AND THEORETICAL PHYSICS; Lugar: AMSTERDAM; Año: 2006 vol. 359 p. 576 - 588

OFELIA B. OÑA, VÍCTOR E. BAZTERRA, MARÍA C. CAPUTO, PATRICIO FUENTEALBA, JULIO C. FACELLI, Y MARTA B. FERRARO

Modified genetic algorithms to model cluster structures in medium size silicon clusters: Si18-Si60

PHYSICAL REVIEW A - ATOMIC, MOLECULAR AND OPTICAL PHYSICS; Lugar: NEW YORK; Año: 2006 vol. 73 p. 532031 - 5320311

G. I. PAGOLA; M. C. CAPUTO, M. B. FERRARO, AND P. LAZZERETTI

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

PHYSICAL REVIEW A - ATOMIC, MOLECULAR AND OPTICAL PHYSICS; Lugar: NE W YORK; Año: 2006 vol. 74 p. 225091 - 225097

OFELIA OÑA, VICTOR E. BAZTERRA, MARÍA C. CAPUTO, MARTA B. FERRARO, Y JULIO C. FACELLI

Global optimization of atomic cluster structures using parallel genetic algorithm

Mater. Research Soc. Sympos.; Lugar: BOSTON; Año: 2006 vol. 894 p. 277 - 281

G. I. PAGOLA; M. C. CAPUTO; M. B. FERRARO; P. LAZZERETTI

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

CHEMICAL PHYSICS LETTERS; Lugar: Amsterdam; Año: 2005 vol. 408 p. 403 - 408

W. TIZNADO; O. OÑA; V. BAZTERRA; M. C. CAPUTO; J. C. FACELLI; M. B. FERRARO; P.FUENTEALBA

Theoretical study of the adsorption of H on Sin clusters, (n=3–10)

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2005 vol. 123 p. 214302 - 214309

G. I. PAGOLA; M. C. CAPUTO; M. B. FERRARO; P. LAZZERETTI

Non linear response of the benzene molecule to strong magnetic fields

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2005 vol. 122 p. 74318 - 74323

F. FAGLIONI; A. LIGABUE; S. PELLONI; A. SONCINI; R. C. VIGLIONE; M. B. FERRARO; R. ZANASI; P. LAZZERETTI

Why Downfield proton chemical shifts are not reliable aromaticity indicators

ORGANIC LETTERS; Lugar: New York; Año: 2005 vol. 7 p. 3457 - 3460

S. JAROSZEWICZ; M. C. MARIANI; M. B. FERRARO

Long correlations and truncated Levy walks applied to the study of Latin American market indices

PHYSICA A - STATISTICAL AND THEORETICAL PHYSICS; Lugar: Amsterdam; Año: 2005 vol. 355 p. 461 - 474

V. BAZTERRA; M. CUMA; M. B. FERRARO; J. C. FACELLI

A General framework to understand parallel performance in heterogeneous systems

JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING; Lugar: Amsterdam; Año: 2005 vol. 65 p. 48 - 57

G. M. DAY; W. D. S. MOTHERWELL; ........................; J. C. FACELLI; V. BAZTERRA; M. B. FERRARO; .......

A third blind test of crystal structure prediction

ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE; Lugar: Cambridge, UK.; Año: 2005 vol. 61 p. 511 - 527

M. B. FERRARO; F. FAGLIONI; A. LIGABUE; S. PELLONI; P. LAZZERETTI

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

MAGNETIC RESONANCE IN CHEMISTRY; Lugar: New York; Año: 2005 vol. 43 p. 316 - 320

V. BAZTERRA; M. FERRARO; J. C. FACELLI

Modified Genetic Algorithm to Model Crystal Structures. III. Determination of Crystal Structures Allowing Simultaneous Molecular Geometry Relaxation

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Lugar: New York; Año: 2004 vol. 96 p. 312 - 320

V. BAZTERRA; O. OÑA; M. C. CAPUTO; M. B. FERRARO; P.FUENTEALBA; J. C. FACELLI

Modified genetic algorithms to model cluster structures in medium size silicon clusters

PHYSICAL REVIEW A - ATOMIC, MOLECULAR AND OPTICAL PHYSICS; Lugar: New York; Año: 2004 vol. 69 p. 532021 - 532022

G. I. PAGOLA; M. C. CAPUTO; M. B. FERRARO; P. LAZZERETTI

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

JOURNAL OF CHEMICAL PHYSICS; Lugar: New York; Año: 2004 vol. 120 p. 9556 - 9560

M. B. FERRARO; P. LAZZERETTI; R. C. VIGLIONI; R. ZANASI

Understanding proton magnetic shielding in benzene molecule

CHEMICAL PHYSICS LETTERS; Lugar: Amsterdam; Año: 2004 vol. 390 p. 268 - 271

G. I. PAGOLA; M. C. CAPUTO; M. B. FERRARO; P. LAZZERETTI

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

CHEMICAL PHYSICS LETTERS; Lugar: Amsterdam; Año: 2004 vol. 400 p. 133 - 138

O. OÑA; V. BAZTERRA; M. C. CAPUTO; M. B. FERRARO; P. FUENTEALBA; J. C. FACELLI

Modified genetic algorithms to model atomic cluster structures: CuSi clusters

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2004 vol. 681 p. 149 - 155

NICOLÁS DI FIORI; ANITA ORENDT; M C. CAPUTO; M. B. FERRARO; J. C. FACELLI

Modeling solid-state effects on NMR chemical shifts using electrostatic models

MAGNETIC RESONANCE IN CHEMISTRY; Lugar: New York; Año: 2004 vol. 42 p. 41 - 47

JONATHAN BOYD; CARMEN DOMENE; CHRISTINA REDFIELD; MARTA B. FERRARO; PAOLO LAZZERETTI

Calculation of Dipole-Shielding Polarizabilities (órâç I): The Influence of Uniform Electric Field Effects on the Shielding of Backbone Nuclei in Proteins

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; Lugar: Washington; Año: 2003 vol. 125 p. 9556 - 9557

A. LIGABUE; P. LAZZERETTI; M. P. BECCAR VARELA; M. B. FERRARO

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

JOURNAL OF CHEMICAL PHYSICS; Lugar: American Institute of Physics; Año: 2002 vol. 116 p. 6427 - 6434

BAZTERRA V.; FERRARO M. B.; FACELLI JC

Modified genetic algorithm to model crystal structures. I. Benzene, naphthalene and anthracene

JOURNAL OF CHEMICAL PHYSICS; Lugar: American Institute of Physics; Año: 2002 vol. 116 p. 5984 - 5991

BAZTERRA V.; FERRARO M. B.; FACELLI JC

Modified genetic algorithm to model crystal structures. II. Determination of a polymorphic structure of benzene using enthalpy minimization

JOURNAL OF CHEMICAL PHYSICS; Lugar: American Institute of Physics; Año: 2002 vol. 116 p. 5992 - 5995

BAZTERRA V.; CAPUTO M.C.; FERRARO M. B.; FUENTEALBA P.

On the theoretical determination of the static dipole polarizability of intermediate size silicon clusters

JOURNAL OF CHEMICAL PHYSICS; Lugar: American Institute of Physics; Año: 2002 vol. 117 p. 11158 - 11165

CAPUTO, M. C.; FERRARO M. B.; RIDRUEJO C.

CTOCD-DZ shielding polarizabilities in a set of small molecules: N2, H2, HF, HCl, HCN and SH2

JOURNAL OF MOLECULAR STRUCTURE THEOCHEM; Lugar: Amsterdam; Año: 2000 vol. 501? p. 407 - 418

M. P. BÉCCAR VARELA; CAPUTO, M. C.; FERRARO M. B.; LAZZERETTI, P.; M. C. MARIANI; D. RIAL

Some Mathematical Properties of Gauge Transformations with Respect to the Coulomb Gauge: Variational Analysis of an Energy Functional

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY; Año: 2000 vol. 77 p. 599 - 606

CAPUTO M.C.; FERRARO M. B.

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

JOURNAL OF CHEMICAL PHYSICS; Lugar: American Institute of Physics; Año: 2000 vol. 112 p. 6141 - 6151

FERRARO M. B.; CAPUTO M.C.

Ab initio calculation of atomic contributions to the magnetic susceptibility by continuous transformation of the origin of the current density in HF, H2O, NH3 , and CH4 molecules

JOURNAL OF CHEMICAL PHYSICS; Lugar: American Institute of Physics; Año: 1999 vol. 110 p. 10706 - 10714