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Daniel E. Bacelo
Observed names:
BACELO, DANIEL E.,
Bacelo, D.E.,
D. E. Bacelo,
D.E. Bacelo,
Daniel Bacelo,
Daniel E Bacelo,
E. Bacelo, Daniel
show all 7
Institutions:
Consejo Nacional de Investigaciones Científicas y Técnicas,
University of Belgrano
Observed institutions:
Consejo Nacional de Investigaciones Científicas y Técnicas,
University of Belgrano,
University of Puerto Rico System,
National University of Patagonia San Juan Bosco,
Universidad Metropolitana,
Universidad Metropolitana,
Universidad Metropolitana,
Universidad Metropolitana
show all 8
ORCID:
0000-0002-6520-4835
Observed ORCID:
0000-0002-6520-4835
OpenAlex ID:
A5068336755
Ab Initio Monte Carlo Simulated Annealing Study of HCl(H2O)n (n = 3, 4) Clusters
1999
·
Daniel E. Bacelo
, R. C. Binning
, et al.
·
The Journal of Physical Chemistry A
·
90
QSPR studies on refractive indices of structurally heterogeneous polymers
2014
·
Pablo R. Duchowicz
, Silvina E. Fioressi
, et al.
·
Chemometrics and Intelligent Laboratory Systems
·
65
PDF
Conformation-independent quantitative structure-property relationships study on water solubility of pesticides
2018
·
Silvina E. Fioressi
, Daniel E. Bacelo
, et al.
·
Ecotoxicology and Environmental Safety
·
29
PDF
The conformation-independent QSPR approach for predicting the oxidation rate constant of water micropollutants
2017
·
Erlinda V. Ortiz
, Daniel O. Bennardi
, et al.
·
Environmental Science and Pollution Research
·
27
QSAR on antiproliferative naphthoquinones based on a conformation-independent approach
2014
·
Pablo R. Duchowicz
, Daniel O. Bennardi
, et al.
·
European Journal of Medicinal Chemistry
·
27
PDF
Theoretical Study of Microscopic Solvation of Ammonia in Water Clusters: NH3(H2O)n,n= 3, 4
2002
·
Daniel E. Bacelo
·
The Journal of Physical Chemistry A
·
26
Predicting the bioconcentration factor through a conformation-independent QSPR study
2017
·
J. F. Aranda
, D. E. Bacelo
, et al.
·
SAR and QSAR in environmental research
·
25
PDF
Theoretical study of microscopic solvation of LiCl in water clusters: LiCl(H2O) (n=1–4)
2000
·
Daniel E. Bacelo
, Yasuyuki Ishikawa
·
Chemical Physics Letters
·
25
Sulfide-Binding Hemoglobins: Effects of Mutations on Active-Site Flexibility
2006
·
S. Fernandez-Alberti
, D.E. Bacelo
, et al.
·
Biophysical Journal
·
20
PDF
Structures and Energetics of BenSin and Be2nSin (n = 1−4) Clusters
2005
·
R. C. Binning
, Daniel E. Bacelo
·
The Journal of Physical Chemistry A
·
19
QSPR study of the Henry’s law constant for heterogeneous compounds
2019
·
Pablo R. Duchowicz
, José F. Aranda
, et al.
·
Process Safety and Environmental Protection
·
18
Effects of cluster formation on spectra of benzo[a]pyrene and benzo[e]pyrene
2008
·
Silvina E. Fioressi
, R.C. Binning
, et al.
·
Chemical Physics Letters
·
18
A DFT study of hydration in neutral and zwitterionic norfloxacin
2006
·
Graciela Pinto Vitorino
, Gustavo D. Barrera
, et al.
·
Chemical Physics Letters
·
14
PDF
Theoretical study of microscopic solvation of HCl in ammonia: HCl(NH3)n, n=1–4
2003
·
Daniel E. Bacelo
, Silvina E. Fioressi
·
The Journal of Chemical Physics
·
13
Different encoding alternatives for the prediction of halogenated polymers glass transition temperature by quantitative structure–property relationships
2017
·
Andrew G. Mercader
, Daniel E. Bacelo
, et al.
·
International Journal of Polymer Analysis and Characterization
·
12
Computational Study of Iron(II) and -(III) Complexes with a Simple Model Human H Ferritin Ferroxidase Center
2006
·
Daniel E. Bacelo
, R. C. Binning
·
Inorganic Chemistry
·
12
QSPR/QSAR Analyses by Means of the CORAL Software
2015
·
Andrey A. Toropov
, Alla P. Toropova
, et al.
·
Advances in chemical and materials engineering book series
·
11
Hydrogen-bonding conformations of tyrosine B10 tailor the hemeprotein reactivity of ferryl species
2006
·
Walleska De Jesús-Bonilla
, Anthony Cruz
, et al.
·
JBIC Journal of Biological Inorganic Chemistry
·
11
The Au(I)Au(I) interaction: Hartree-Fock and Møller-Plesset second-order perturbation theory calculations on [Se5Au2]2− and [Se6Au2]2− complexes
1997
·
Daniel E. Bacelo
, S.D. Huang
, et al.
·
Chemical Physics Letters
·
11
QSAR studies of indoyl aryl sulfides and sulfones as reverse transcriptase inhibitors
2017
·
Pablo R. Duchowicz
, Daniel E. Bacelo
, et al.
·
Medicinal Chemistry Research
·
10
Conformation‐Independent QSAR Study on Human Epidermal Growth Factor Receptor‐2 (HER2) Inhibitors
2017
·
Pablo R. Duchowicz
, Silvina E. Fioressi
, et al.
·
ChemistrySelect
·
10
PDF
QSPR study on refractive indices of solvents commonly used in polymer chemistry using flexible molecular descriptors
2015
·
S.E. Fioressi
, D.E. Bacelo
, et al.
·
SAR and QSAR in environmental research
·
9
Theoretical Study of the Adsorption of Bisulfate on Small Gold Clusters
2002
·
Marc D. Legault
, Daniel E. Bacelo
·
The Journal of Physical Chemistry A
·
9
QSAR study of human epidermal growth factor receptor (EGFR) inhibitors: conformation-independent models
2019
·
Silvina E. Fioressi
, Daniel E. Bacelo
, et al.
·
Medicinal Chemistry Research
·
8
A DFT study of dodecahedral beryllium silicide cage clusters
2012
·
Silvina Fioressi
, Daniel E. Bacelo
, et al.
·
Chemical Physics Letters
·
8
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Works count:
64
Citation count:
611
H-index:
13
I10-index:
21
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