PETELSKI, ANDRE N.; DUARTE, DARÍO J. R.; PERUCHENA, NÉLIDA M.

Nature and Strength of Weak O⋅⋅⋅O Interactions in Nitryl Halide Dimers

Chemphyschem; Año: 2022

MIRANDA, MATIAS O.; DUARTE, DARÍO J. R.

Halogen Bonds Stabilised by an Electronic Exchange Channel

ChemistrySelect; Año: 2021 vol. 6 p. 680 - 684

MIRANDA, MATIAS O.; DUARTE, DARÍO J. R.; ALKORTA, IBON

Anion‐Anion Complexes Established between Aspartate Dimers

Chemphyschem; Año: 2020 vol. 21 p. 1052 - 1059

DANIELA LANGARO SAVARIS; MATHEUS BORGHEZAN ALBERTON; ROBERTO DE MATOS2; MARIA F. ZALAZAR; DARÍO J. R. DUARTE; CLEBER ANTONIO LINDINO

Development of Spectrophotometric Method for the Determination of 17a-Methyltestosterone

Brazilian Journal of Analytical Chemistry; Año: 2019

DUARTE, DARÍO J.R.; BURALLI, GABRIEL J.; PERUCHENA, NÉLIDA M.

Is σ-hole an electronic exchange channel in YX⋯CO interactions?

CHEMICAL PHYSICS LETTERS; Año: 2018 vol. 710 p. 113 - 117

BURALLI, GABRIEL J.; DUARTE, DARÍO J. R.; SOSA, GLADIS L.; PERUCHENA, NÉLIDA M.

Lewis acid-base behavior of hypervalent halogen fluorides in gas phase

STRUCTURAL CHEMISTRY; Año: 2017 p. 1 - 8

BURALLI, GABRIEL J.; DUARTE, DARÍO J. R.; PERUCHENA, NÉLIDA M.; ALKORTA, IBON

Simultaneous Occurrence of Quadruple Lewis Acid-Base Interactions between Selenium Atoms in Selenocarbonyl Dimers

Chemphyschem; Año: 2017 vol. 18 p. 3498 - 3503

BURALLI, GABRIEL; PETELSKI, ANDRE; PERUCHENA, NÉLIDA; SOSA, GLADIS; DUARTE, DARÍO

Multicenter (FX)n/NH3 Halogen Bonds (X = Cl, Br and n = 1-5). QTAIM Descriptors of the Strength of the X∙∙∙N Interaction

MOLECULES; Año: 2017 vol. 22

MARGARIDA S. MIRANDA; DARÍO J. R. DUARTE; JOEL F. LIEBMAN

What is the enthalpy of formation of pyrazine-2-carboxylic acid?

JOURNAL OF CHEMICAL THERMODYNAMICS; Lugar: Manchester; Año: 2016 vol. 97 p. 261 - 263

DARÍO J. R. DUARTE; GLADIS L. SOSA; NÉLIDA M. PERUCHENA; IBON ALKORTA

Halogen bonding. The role of the polarizability of the electron-pair donor

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: Cambridge; Año: 2016 vol. 18 p. 7300 - 7309

GABRIEL J. BURALLI; DARÍO J. R. DUARTE; NÉLIDA M. PERUCHENA

NATURE OF Mδ+···δ+C?Oδ- INTERACTIONS IN METAL CARBONYLS. AN ELECTRONIC STUDY BASED ON THE TOPOLOGY OF THE ELECTRON CHARGE DENSITY DISTRIBUTION AND ITS LAPLACIAN FUNCTION

QUíMICA NOVA; Lugar: San Pablo; Año: 2016 vol. XY p. 1 - 10

ANDREI N. PETELSKI; DARÍO J. R. DUARTE; S. C. PAMIES; NÉLIDA M. PERUCHENA; GLADIS L. SOSA

Intermolecular perturbation in the self‑assembly of melamine

THEORETICAL CHEMISTRY ACCOUNTS; Lugar: Berlin; Año: 2016 vol. 135

DARÍO J. R. DUARTE; MARGARIDA S. MIRANDA; JOAQUIM C. G. ESTEVES DA SILVA; JOEL F. LIEBMAN

A theoretical study of the strong interactions between carbon dioxide and OH+ and NH2+ products resulting from protonation of 1,2-dioxirane-3-one and 1,2-oxaziridine-3-one, respectively

STRUCTURAL CHEMISTRY; Lugar: New York; Año: 2016

DARÍO J. R. DUARTE; MARGARIDA S. MIRANDA; JOAQUIM C. G. ESTEVES DA SILVA

Theoretical characterization of molecular complexes formed between triplet vinyl nitrene and Lewis acids

STRUCTURAL CHEMISTRY; Lugar: New York; Año: 2015 vol. 26 p. 565 - 571

MARGARIDA S. MIRANDA; DARÍO J. R. DUARTE; JOAQUIM C. G. ESTEVES DA SILVA; JOEL F. LIEBMAN

Protonated heterocyclic derivatives of cyclopropane and cyclopropanone: Classical species, alternate sites and ring fragmentation.

CANADIAN JOURNAL OF CHEMISTRY; Lugar: Ottawa; Año: 2015 vol. 93 p. 1 - 7

DARÍO J. R. DUARTE; NÉLIDA M. PERUCHENA; IBON ALKORTA

Double Hole−Lump Interaction between Halogen Atoms

JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: Washington; Año: 2015 vol. 119 p. 3546 - 3552

DARÍO J. R. DUARTE; MARGARIDA S. MIRANDA; JOAQUIM C. G. ESTEVES DA SILVA; JOEL F. LIEBMAN

Theoretical characterization of the chemical bonds of some three-membered ring compounds through QTAIM theory

STRUCTURAL CHEMISTRY; Lugar: New York; Año: 2015

DARÍO J. R. DUARTE; MARGARIDA S. MIRANDA; JOAQUIM C. G. ESTEVES DA SILVA

Theoretical characterization of molecular complexes formed between triplet vinyl nitrene and Lewis acids

STRUCTURAL CHEMISTRY; Lugar: New York; Año: 2014

PAULO J.O. FERREIRA; LUÍS PINTO DA SILVA; DARÍO J. R. DUARTE; MARGARIDA S. MIRANDA; JOAQUIM C.G. ESTEVES DA SILVA

A computational study of the structure, aromaticity and enthalpy of formation of UVA filter 4-tert-butyl-40-methoxydibenzoylmethane

COMPUTATIONAL AND THEORETICAL CHEMISTRY; Lugar: Ansterdan; Año: 2014 vol. 1038 p. 6 - 16

DARÍO J. R. DUARTE; EMILIO L. ANGELINA; NÉLIDA M. PERUCHENA

Physical meaning of the QTAIM topological parameters in hydrogen bonding.

JOURNAL OF MOLECULAR MODELING - (Print); Lugar: Berlin; Año: 2014 vol. 20

DARÍO J. R. DUARTE; MARGARIDA S. MIRANDA; JOAQUIM C. G. ESTEVES DA SILVA

Computational Study on the Vinyl Azide Decomposition

JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: Washington; Año: 2014 vol. 118 p. 5038 - 5045

LUIS PINTO DA SILVA; PAULO J. O. FERREYRA; DARÍO J. R. DUARTE; MARGARIDA S. MIRANDA; JOAQUIM C. G. ESTEVES DA SILVA

Structural, energetical, and UV-Vis spectral analysis of UVA filter 4-tert-butyl-4?-methoxydibenzoylmethane.

JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: Washington; Año: 2014 vol. 118 p. 1511 - 1518

DARÍO J. R. DUARTE; GLADIS L. SOSA; NÉLIDA M. PERUCHENA

Nature of halogen bonding. A study based on the topological analysis of the Laplacian of the electron charge density and an energy decomposition analysis

JOURNAL OF MOLECULAR MODELING - (Print); Lugar: Berlin; Año: 2013 vol. 19 p. 2035 - 2041

EMILIO L. ANGELINA; DARÍO J. R. DUARTE; NÉLIDA M. PERUCHENA

Is the decrease of the total electron energy density a covalence indicator in hydrogen and halogen bonds?

JOURNAL OF MOLECULAR MODELING - (Print); Lugar: Berlin; Año: 2013 vol. 19 p. 2097 - 2106

DARÍO J. R. DUARTE; EMILIO L. ANGELINA; NÉLIDA M. PERUCHENA

On the strength of the halogen bonds: Mutual penetration, atomic quadrupole moment and Laplacian distribution of the charge density analyses

COMPUTATIONAL AND THEORETICAL CHEMISTRY; Lugar: Ámsterdam; Año: 2012 vol. 998 p. 164 - 172

DARÍO J. R. DUARTE; MARGARITA VALLEJOS; NÉLIDA M. PERUCHENA

Topological analysis of aromatic halogen/hidrogen bonds by electron charge density and electrostatic potencial.

JOURNAL OF MOLECULAR MODELING - (Print); Lugar: Berlin; Año: 2010 vol. 16 p. 737 - 748

MARIA F. ZALAZAR; DARIO J. R. DUARTE; NELIDA M. PERUCHENA

Adsorption of alkenes on acidic zeolites. A theoretical study based on the electron charge density.

JOURNAL OF PHYSICAL CHEMISTRY A; Lugar: Washington; Año: 2009 vol. 113 p. 13797 - 13807