المؤلفون: Duchowicz, Pablo Román, Bacelo, Daniel Enrique, Fioressi, Silvina Ethel, Palermo, Valeria, Romanelli, Gustavo Pablo, Castro, Eduardo Alberto

المصدر: CONICET Digital (CONICET)
Consejo Nacional de Investigaciones Científicas y Técnicas
instacron:CONICET

مصطلحات موضوعية: Ingeniería Química, purl.org/becyt/ford/1 [https], purl.org/becyt/ford/2.4 [https], purl.org/becyt/ford/2 [https], QSAR, Otras Ciencias Químicas, Otras Ingeniería Química, Ciencias Químicas, purl.org/becyt/ford/1.4 [https], INGENIERÍAS Y TECNOLOGÍAS, Indoil-aril sulfonas, Sulfuros, CIENCIAS NATURALES Y EXACTAS

وصف الملف: application/pdf; application/vnd.openxmlformats-officedocument.wordprocessingml.document

URL الوصول: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::47be6cda922ddb19d5bcf1d64e145bc5
https://www.aqa.org.ar/images/anales/pdf103/cd/14-Qca-Teor-Computacional/14-018.PDF

المؤلفون: Fioressi, Silvina Ethel, Bacelo, Daniel Enrique

مصطلحات موضوعية: Benzo[a]pyrene, toxicity prediction, Otras Ciencias Químicas, Ciencias Químicas, Benzo[e]pyrene, nitro-aromatic, CIENCIAS NATURALES Y EXACTAS

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=od______3498::1f33a9201eb501c0cb64fab7a3fc772e
https://www.ikprress.org/index.php/JACSI/article/view/3818

المؤلفون: Bacelo, Daniel Enrique, Binning, R. C.

مصطلحات موضوعية: Ferroxidase Center, Ferritin, Density Functional Theory, https://purl.org/becyt/ford/1.4, https://purl.org/becyt/ford/1

وصف الملف: application/pdf

Relation: http://hdl.handle.net/11336/244669; CONICET Digital; CONICET

الاتاحة: http://hdl.handle.net/11336/244669

المؤلفون: Fioressi, Silvina Ethel, Binning, R. C., Bacelo, Daniel Enrique

مصطلحات موضوعية: benzo[a]pyrene, benzo[e]pyrene, PAH, Cluster, https://purl.org/becyt/ford/1.4, https://purl.org/becyt/ford/1

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0009261408001784; http://hdl.handle.net/11336/244626; CONICET Digital; CONICET

الاتاحة: http://hdl.handle.net/11336/244626

المؤلفون: De Jesús Bonilla, Walleska, Cruz, Anthony, Lewis, Ariel, Cerda, José, Bacelo, Daniel Enrique, Cadilla, Carmen L., López Garriga, Juan

مصطلحات موضوعية: TYROSINE B10, FERRYL SPECIES, HYDROGEN PEROXIDE, https://purl.org/becyt/ford/1.4, https://purl.org/becyt/ford/1

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/url/https://link.springer.com/article/10.1007/s00775-006-0082-0; http://hdl.handle.net/11336/244262; CONICET Digital; CONICET

الاتاحة: http://hdl.handle.net/11336/244262

المؤلفون: Binning, R. C., Bacelo, Daniel Enrique

مصطلحات موضوعية: FERRITIN, Ferroxidase reaction, Density functional theory, Dizinc complex, https://purl.org/becyt/ford/1.4, https://purl.org/becyt/ford/1

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/url/https://link.springer.com/article/10.1007/s00775-009-0563-z; http://hdl.handle.net/11336/244200; CONICET Digital; CONICET

الاتاحة: http://hdl.handle.net/11336/244200

المؤلفون: Pinto Vitorino, Graciela, Barrera, Gustavo Daniel, Mazzieri, Maria Rosa, Binning, Robert C., Bacelo, Daniel Enrique

مصطلحات موضوعية: FLUOROQUINOLONE, B3LYP/6-31+G* CALCULATIONS, POLARIZABLE CONTINUUM MODEL, https://purl.org/becyt/ford/1.4, https://purl.org/becyt/ford/1, https://purl.org/becyt/ford/3.3, https://purl.org/becyt/ford/3

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S0009261406015818; http://hdl.handle.net/11336/102549; Pinto Vitorino, Graciela; Barrera, Gustavo Daniel; Mazzieri, Maria Rosa; Binning, Robert C.; Bacelo, Daniel Enrique; A DFT study of hydration in neutral and zwitterionic norfloxacin; Elsevier Science; Chemical Physics Letters; 432; 4-6; 12-2006; 538-544; CONICET Digital; CONICET

الاتاحة: http://hdl.handle.net/11336/102549

المؤلفون: Fioressi, Silvina Ethel, Bacelo, Daniel Enrique, Cui, W. P., Saavedra Reyes, Laura Marcela, Duchowicz, Pablo Román

مصطلحات موضوعية: Teoria Qspr, Descriptores Moleculares, Coral, Índice de Refracción, Graph Theory, Polymer, https://purl.org/becyt/ford/1.4, https://purl.org/becyt/ford/1

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/pmid/26223885; info:eu-repo/semantics/altIdentifier/doi/; http://hdl.handle.net/11336/5080; Fioressi, Silvina Ethel; Bacelo, Daniel Enrique; Cui, W. P.; Saavedra Reyes, Laura Marcela; Duchowicz, Pablo Román; QSPR study on refractive indices of solvents commonly used in polymer chemistry using flexible molecular descriptors; Taylor & Francis; Sar And Qsar In Environmental Research; 26; 6; 3-2015; 499-506

الاتاحة: http://hdl.handle.net/11336/5080

المؤلفون: Fioressi, Silvina Ethel, Bacelo, Daniel Enrique, Rojas, Cristian, Aranda, José Francisco, Duchowicz, Pablo Román

مصطلحات موضوعية: CORAL SOFTWARE, MOLECULAR DESCRIPTORS, PESTICIDES, QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIPS, WATER SOLUBILITY, https://purl.org/becyt/ford/1.4, https://purl.org/becyt/ford/1

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/abs/pii/S014765131831354X; http://hdl.handle.net/11336/118990; Fioressi, Silvina Ethel; Bacelo, Daniel Enrique; Rojas, Cristian; Aranda, José Francisco; Duchowicz, Pablo Román; Conformation-independent quantitative structure-property relationships study on water solubility of pesticides; Academic Press Inc Elsevier Science; Ecotoxicology and Environmental Safety; 171; 4-2019; 47-53; CONICET Digital; CONICET

الاتاحة: http://hdl.handle.net/11336/118990

المؤلفون: Fioressi, Silvina Ethel, Bacelo, Daniel Enrique, Bozzolo, Guillermo, Mosca, Hugo Osvaldo, del Grosso, Mariela Fernanda

مصطلحات موضوعية: BFS method, Nanoframes, Metallic nanocages, https://purl.org/becyt/ford/1.3, https://purl.org/becyt/ford/1

وصف الملف: application/pdf

Relation: http://hdl.handle.net/11336/110763; Fioressi, Silvina Ethel; Bacelo, Daniel Enrique; Bozzolo, Guillermo; Mosca, Hugo Osvaldo; del Grosso, Mariela Fernanda; Atomistic modeling of Ag, Au, and Pt nanoframes; Elsevier Science; Computational Materials Science; 98; 2-2015; 142-148; CONICET Digital; CONICET

الاتاحة: http://hdl.handle.net/11336/110763

المؤلفون: Duchowicz, Pablo Román, Bennardi, Daniel Oscar, Bacelo, Daniel Enrique, Bonifazi, Evelyn Lucia, Ríos Luci, Carla, Padron, José M., Burton, Gerardo, Misico, Rosana Isabel

مصطلحات موضوعية: Qsar, Molecular Descriptors, Multivariable Linear Regression, Cancer, Naphthoquinone Derivatives, https://purl.org/becyt/ford/1.4, https://purl.org/becyt/ford/1

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/url/http://www.sciencedirect.com/science/article/pii/S0223523414001950; http://hdl.handle.net/11336/30962; Misico, Rosana Isabel; Burton, Gerardo; Padron, José M.; Ríos Luci, Carla; Bonifazi, Evelyn Lucia; Bacelo, Daniel Enrique; et al.; QSAR on antiproliferative naphthoquinones based on a conformation-independent approach; Elsevier Masson; European Journal of Medical Chemistry; 77; 2-2014; 176-184; CONICET Digital; CONICET

الاتاحة: http://hdl.handle.net/11336/30962

المؤلفون: Duchowicz, Pablo Román, Fioressi, Silvina Ethel, Bacelo, Daniel Enrique

مصطلحات موضوعية: CHAGAS DISEASE, FENARIMOL COMPOUNDS, MOLECULAR DESCRIPTORS, QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIPS, https://purl.org/becyt/ford/1.4, https://purl.org/becyt/ford/1

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S2211715621001612; http://hdl.handle.net/11336/200248; Duchowicz, Pablo Román; Fioressi, Silvina Ethel; Bacelo, Daniel Enrique; QSAR predictions on antichagas fenarimols; Elsevier; Results in Chemistry; 4; 1-2022; 100256-100261; CONICET Digital; CONICET

الاتاحة: http://hdl.handle.net/11336/200248

المؤلفون: Duchowicz, Pablo Román, Bacelo, Daniel Enrique, Fioressi, Silvina Ethel, Palermo, Valeria, Romanelli, Gustavo Pablo, Castro, Eduardo Alberto

مصطلحات موضوعية: QSAR, Indoil-aril sulfonas, Sulfuros, https://purl.org/becyt/ford/2.4, https://purl.org/becyt/ford/2, https://purl.org/becyt/ford/1.4, https://purl.org/becyt/ford/1

وصف الملف: application/pdf; application/vnd.openxmlformats-officedocument.wordprocessingml.document

Relation: info:eu-repo/semantics/altIdentifier/url/https://www.aqa.org.ar/images/anales/pdf103/cd/14-Qca-Teor-Computacional/14-018.PDF; http://hdl.handle.net/11336/27655; Duchowicz, Pablo Román; Bacelo, Daniel Enrique; Fioressi, Silvina Ethel; Palermo, Valeria; Romanelli, Gustavo Pablo; et al.; Análisis QSAR de inhibidores de la actividad de la transcriptasa reversa del HIV; Asociación Química Argentina; The Journal of Argentine Chemical society; 103; 1-2; 10-2016; 14-18; CONICET Digital; CONICET

الاتاحة: http://hdl.handle.net/11336/27655

المؤلفون: Fioressi, Silvina Ethel, Binning, R.C., Bacelo, Daniel Enrique

مصطلحات موضوعية: Beryllium Carbide, Carbon Clusters, Density Functional Theory, https://purl.org/becyt/ford/2.10, https://purl.org/becyt/ford/2

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/url/https://www.sciencedirect.com/science/article/pii/S0301010414002390; http://hdl.handle.net/11336/35896; Fioressi, Silvina Ethel; Binning, R.C.; Bacelo, Daniel Enrique; Structures and energetics of BenCn (n = 1–5) and Be2nCn (n = 1–4) clusters; Elsevier Science; Chemical Physics; 443; 9-2014; 76-86; CONICET Digital; CONICET

الاتاحة: http://hdl.handle.net/11336/35896

المؤلفون: Fioressi, Silvina Ethel, Bacelo, Daniel Enrique

مصطلحات موضوعية: Beryllium Germanide, Density Functional Theory, Germanium Clusters, https://purl.org/becyt/ford/1.4, https://purl.org/becyt/ford/1

وصف الملف: application/pdf

Relation: http://hdl.handle.net/11336/46962; CONICET Digital; CONICET

الاتاحة: http://hdl.handle.net/11336/46962

المؤلفون: Bacelo, Daniel Enrique, Binning, R. C.

مصطلحات موضوعية: Fe2+, https://purl.org/becyt/ford/1.4, https://purl.org/becyt/ford/1

وصف الملف: application/pdf

Relation: http://hdl.handle.net/11336/244680; CONICET Digital; CONICET

الاتاحة: http://hdl.handle.net/11336/244680

المؤلفون: Duchowicz, Pablo Román, Bennardi, Daniel Oscar, Fioressi, Silvina Ethel, Bacelo, Daniel Enrique

مصطلحات موضوعية: Quantitative Structure-Activity Relationships, Human Head Louse, Essential oils, Insecticidal activity, https://purl.org/becyt/ford/1.4, https://purl.org/becyt/ford/1

وصف الملف: application/pdf

Relation: http://hdl.handle.net/11336/243950; CONICET Digital; CONICET

الاتاحة: http://hdl.handle.net/11336/243950

المؤلفون: Duchowicz, Pablo Román, Fioressi, Silvina Ethel, Bacelo, Daniel Enrique, Quispe, Alexander Q., Yapu, Ebbe L., Castañeta, Heriberto

مصطلحات موضوعية: VAPOR PRESSURE, PESTICIDES, PPDB DATABASE, QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIPS, https://purl.org/becyt/ford/1.4, https://purl.org/becyt/ford/1

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/url/https://link.springer.com/10.1007/s11356-023-31235-8; http://hdl.handle.net/11336/219930; CONICET Digital; CONICET

الاتاحة: http://hdl.handle.net/11336/219930

المؤلفون: Ortiz, Erlinda del Valle, Bennardi, Daniel Oscar, Bacelo, Daniel Enrique, Fioressi, Silvina Ethel, Duchowicz, Pablo Román

مصطلحات موضوعية: MOLECULAR DESCRIPTORS, QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIPS, REACTION RATE CONSTANT, REPLACEMENT METHOD, WATER MICROPOLLUTANT, https://purl.org/becyt/ford/1.5, https://purl.org/becyt/ford/1

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/url/https://link.springer.com/article/10.1007%2Fs11356-017-0315-5; http://hdl.handle.net/11336/41328; Ortiz, Erlinda del Valle; Bennardi, Daniel Oscar; Bacelo, Daniel Enrique; Fioressi, Silvina Ethel; Duchowicz, Pablo Román; The conformation-independent QSPR approach for predicting the oxidation rate constant of water micropollutants; Springer Heidelberg; Environmental Science and Pollution Research; 24; 35; 10-2017; 27366-27375; CONICET Digital; CONICET

الاتاحة: http://hdl.handle.net/11336/41328

المؤلفون: Fioressi, Silvina Ethel, Bacelo, Daniel Enrique, Duchowicz, Pablo Román

مصطلحات موضوعية: CANCER, DRUG DESIGN, EGFR, HER1, QSAR, TYROSINE KINASE PROTEIN, https://purl.org/becyt/ford/1.4, https://purl.org/becyt/ford/1

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/url/https://link.springer.com/article/10.1007/s00044-019-02437-y; http://hdl.handle.net/11336/118701; Fioressi, Silvina Ethel; Bacelo, Daniel Enrique; Duchowicz, Pablo Román; QSAR study of human epidermal growth factor receptor (EGFR) inhibitors: conformation-independent models; Birkhauser Boston Inc; Medicinal Chemistry Research; 28; 11; 9-2019; 2079-2087; CONICET Digital; CONICET

الاتاحة: http://hdl.handle.net/11336/118701