DUCHOWICZ, P.R.; FIORESSI, S.E.; BACELO, D.E.; QUISPE, A.; YAPU, E.; CASTAÑETA, H.

QSPR predicting the vapor pressure of pesticides into high/low volatility classes

ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH; Lugar: HEIDELBERG; Año: 2023 vol. 31 p. 1395 - 1402

DUCHOWICZ, PABLO R.; FIORESSI, SILVINA E.; BACELO, DANIEL E.

QSAR predictions on antichagas fenarimols

Results in Chemistry; Lugar: Amsterdam; Año: 2022 vol. 4 p. 100256 - 100261

DUCHOWICZ, P.R.; FIORESSI, SILVINA E.; GUSTAVO ROMANELLI; BACELO, DANIEL E.

Alternative QSAR Study for Unsymmetrical Aromatic Disulfide Anti-SARS Inhibitors

International Journal of Quantitative Structure-Property Relationships; Lugar: Hershey, Pennsylvania; Año: 2021 vol. 6 p. 47 - 57

DUCHOWICZ, PABLO R.; ARANDA, JOSÉ F.; BACELO, DANIEL E.; FIORESSI, SILVINA E.

QSPR study of the Henry's law constant for heterogeneous compounds

CHEMICAL ENGINEERING RESEARCH & DESIGN; Lugar: London; Año: 2020 vol. 154 p. 115 - 121

FIORESSI, SILVINA E.; BACELO, DANIEL E.; ARANDA, JOSÉ F.; DUCHOWICZ, PABLO R.

Prediction of the aqueous solubility of diverse compounds by 2D-QSPR

JOURNAL OF MOLECULAR LIQUIDS; Año: 2020 vol. 302 p. 112572 - 112577

FIORESSI, SILVINA E.; BACELO, DANIEL E.; ROJAS, CRISTIAN; ARANDA, JOSÉ F.; DUCHOWICZ, PABLO R.

Conformation-independent quantitative structure-property relationships study on water solubility of pesticides

ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY; Año: 2019 vol. 171 p. 47 - 53

FIORESSI, SILVINA E.; BACELO, DANIEL E.; DUCHOWICZ, PABLO R.

QSAR study of human epidermal growth factor receptor (EGFR) inhibitors: conformation-independent models

MEDICINAL CHEMISTRY RESEARCH; Lugar: Boston; Año: 2019 vol. 28 p. 2079 - 2087

GOODARZI, MOHAMMAD; BACELO, DANIEL E.; FIORESSI, SILVINA E.; DUCHOWICZ, PABLO R.

Replacement Orthogonal Wavelengths Selection as a new method for multivariate calibration in spectroscopy

MICROCHEMICAL JOURNAL; Año: 2018 p. 1 - 10

FIORESSI, SILVINA E.; DUCHOWICZ, PABLO; BACELO, DANIEL E.

DFT Study on the Structures and Stability of BenSnn (n=1 – 5) and Be2nSnn (n=1 – 4) Clusters.

ChemistrySelect; Año: 2018 vol. 3 p. 13017 - 13024

ORTIZ, ERLINDA V.; BENNARDI, DANIEL O.; BACELO, DANIEL E.; FIORESSI, SILVINA E.; DUCHOWICZ, PABLO R.

The conformation-independent QSPR approach for predicting the oxidation rate constant of water micropollutants

ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH; Año: 2017 p. 1 - 10

DUCHOWICZ, PABLO R.; BACELO, DANIEL E.; FIORESSI, SILVINA E.; PALERMO, VALERIA; IBEZIM, NNENNA E.; ROMANELLI, GUSTAVO P.

QSAR studies of indoyl aryl sulfides and sulfones as reverse transcriptase inhibitors

MEDICINAL CHEMISTRY RESEARCH; Año: 2017 p. 1 - 9

FIORESSI, SILVINA; BACELO, DANIEL

Structures and vibrational spectra of nitro-benzo[a]pyrene and nitro-benzo[e]pyrene isomers: a density functional study

Journal of Applied Chemical Science International; Lugar: Manchester; Año: 2016 vol. 5 p. 153 - 163

DUCHOWICZ, P.R.; FIORESSI, S.E.; CASTRO, E.; WRÓBEL, K; IBEZIM, N.; BACELO, DANIEL

Conformation-independent QSAR study on human epidermal growth factor receptor-2 (HER2) inhibitors

ChemistrySelect, ChemPubSoc Europe; Lugar: Oxford; Año: 2016

FIORESSI, SILVINA E.; BACELO, DANIEL E.

Structures and energetics of BenGen (n = 1-5) and Be2 nGen (n = 1-4) clusters

MOLECULAR PHYSICS; Año: 2016 p. 1 - 12

FIORESSI, S.E.; BACELO, D.E.; CUI, W.P.; SAAVEDRA, L.M.; DUCHOWICZ, P.R.

QSPR study on refractive indices of solvents commonly used in polymer chemistry using flexible molecular descriptors

SAR AND QSAR IN ENVIRONMENTAL RESEARCH; Año: 2015 vol. 26 p. 499 - 506

FIORESSI, SILVINA; BACELO, DANIEL; GUILLERMO BOZZOLO; HUGO MOSCA; MARIELA F DEL GROSSO

Atomistic modeling of Ag, Au, and Pt nanoframes

COMPUTATIONAL MATERIALS SCIENCE; Lugar: Amsterdam; Año: 2015 vol. 98 p. 142 - 148

PABLO R. DUCHOWICZ; FIORESSI, SILVINA; BACELO, DANIEL; LAURA M. SAAVEDRA; ALLA TOROPOVA; ANDEY TOROPOV

QSPR studies on refractive indices of structurally heterogeneous polymers

CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS; Lugar: Amsterdam; Año: 2014 vol. 140 p. 86 - 91

FIORESSI, SILVINA; BINNING JR., R. C; BACELO, DANIEL

Structures and energetics of BenCn (n = 1-5) and Be2nCn (n = 1-4) clusters

CHEMICAL PHYSICS; Lugar: Amsterdam; Año: 2014 vol. 443 p. 76 - 86

FIORESSI, SILVINA; BACELO, DANIEL; BINNING JR., R. C

A DFT study of dodecahedral beryllium silicide cage clusters

CHEMICAL PHYSICS LETTERS; Lugar: Amsterdam; Año: 2012 vol. 537 p. 75 - 79

FIORESSI, SILVINA; BINNING JR., R. C; BACELO, DANIEL

Effect of cluster formation on spectra of benzo[a]pyrene and benzo[e]pyrene.

CHEMICAL PHYSICS LETTERS; Año: 2008 vol. 454 p. 269 - 273

FIORESSI, SILVINA; ARCE, RAFAEL

Photochemical transformations of Benzo[e]pyrene in solution and adsorbed on silica gel and alumina surfaces.

ENVIRONMENTAL SCIENCE & TECHNOLOGY; Año: 2005 vol. 39 p. 3646 - 3655

BACELO, DANIEL; FIORESSI, SILVINA

Theoretical study of microscopic solvation of HCl in ammonia cluster: HCl(NH3)n, n=1-4

JOURNAL OF CHEMICAL PHYSICS; Año: 2003 vol. 119 p. 11695 - 11703

FIORESSI, SILVINA; ARCE, RAFAEL

Excited states and intermediate species of benzo[e]pyrene photolyzed in solution and adsorbed on surfaces.

JOURNAL OF PHYSICAL CHEMISTRY A; Año: 2003 vol. 107 p. 5968 - 5975

FIORESSI, SILVINA; ARCE, RAFAEL

Primary photochemical processes of benzo[e]pyrene in solution and adsorbed on surfaces

American Chemical Society Division of Environmental Science and Technology; Año: 2001 vol. 41 p. 204 - 210