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Complexation of the anti-Trypanosoma cruzi Drug Benznidazole Improves Solubility and Efficacy

Journal of medicinal chemistry, 2008-07, Vol.51 (14), p.4104-4114

2008

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A mechanistic study of the electrochemical behavior of pendimethalin herbicide

Journal of electroanalytical chemistry (Lausanne, Switzerland), 2018-10, Vol.826, p.157-163

2018

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Accurate atomic electron affinities calculated by using anionic Gaussian basis sets

Theoretical chemistry accounts, 2020-08, Vol.139 (8), Article 128

2020

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Molecular Features for Antitrypanosomal Activity of Thiosemicarbazones Revealed by OPS-PLS QSAR Studies

Medicinal chemistry (Shp-sariqah, United Arab Emirates), 2012-11, Vol.8 (6), p.1045-1056

2012

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Relativistic Prolapse-Free Gaussian Basis Sets of Quadruple‑ζ Quality: (aug-)RPF-4Z. III. The f‑Block Elements

Journal of chemical theory and computation, 2017-03, Vol.13 (3), p.1094-1101

2017

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Relativistic Prolapse-Free Gaussian Basis Set of Quadruple‑ζ Quality: (aug-)RPF-4Z. I. The s- and p‑Block Elements

Journal of chemical theory and computation, 2014-09, Vol.10 (9), p.3800-3806

2014

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On polarization functions for Gaussian basis sets

Journal of molecular modeling, 2020-10, Vol.26 (10), p.293-293, Article 293

2020

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Electronic atomic and molecular calculations: applying the generator coordinate method

1, 2007

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Relativistic Prolapse-Free Gaussian Basis Set of Quadruple‑ζ Quality: (aug-)RPF-4Z. II. The d‑Block Elements

Journal of chemical theory and computation, 2014-11, Vol.10 (11), p.4761-4764

2014

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A molecular modeling study of combretastatin-like chalcones as anticancer agents using PLS, ANN and consensus models

Structural chemistry, 2018-08, Vol.29 (4), p.957-965

2018

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Sugar moiety has a synergistic effect on hydroxylated xanthone for better antioxidant activity of mangiferin

Medicinal chemistry research, 2018-04, Vol.27 (4), p.1276-1282

2018

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Molecular features for antitrypanosomal activity of thiosemicarbazones revealed by OPS-PLS QSAR studies

Medicinal chemistry (Shp-sariqah, United Arab Emirates), 2012-11, Vol.8 (6), p.1045-1056

2012

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Aspectos terapêuticos de compostos da planta Cannabis sativa

Química Nova, 2006-04, Vol.29 (2), p.318-325

2006

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Accurate Calculations of Rate Constants for the Forward and Reverse H2O + CO ↔ HCOOH Reactions

ChemistrySelect (Weinheim), 2017-08, Vol.2 (24), p.7267-7272

2017

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Estudo eletroquímico e químico-quântico da oxidação do antidepressivo tricíclico amitriptilina

Química Nova, 2005-06, Vol.28 (3), p.456-461

2005

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Theoretical study of dibenzotetraaza[14]annulene complexes with first row transition metals

Computational and theoretical chemistry, 2015-02, Vol.1054, p.93-99

2015

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Relativistic Prolapse-Free Gaussian Basis Sets of Quadruple-[zeta] Quality: (aug-)RPF-4Z. III. The f-Block Elements

Journal of chemical theory and computation, 2017-03, Vol.13 (3), p.1094-1101

2017

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CO bonding in FeN4 complexes and the effect of the macrocycle ligand: A DFT study

Polyhedron, 2014-01, Vol.67, p.36-43

2014

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Quantum chemical DFT study of the interaction between molecular oxygen and FeN4 complexes, and effect of the macrocyclic ligand

Journal of molecular modeling, 2014-03, Vol.20 (3), p.2131-2131, Article 2131

2014

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A theoretical study on the XeF2 molecule

Chemical physics, 2008-06, Vol.348 (1-3), p.89-96

2008

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Docking and molecular dynamics simulation of quinone compounds with trypanocidal activity

Journal of molecular modeling, 2009-10, Vol.15 (10), p.1175-1184

2009

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A neural networks study of quinone compounds with trypanocidal activity

Journal of molecular modeling, 2008-10, Vol.14 (10), p.975-985

2008

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A formação do pós-graduando em química para a docência em nível superior

Química Nova, 2006-12, Vol.29 (6), p.1387-1392

2006

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Aspectos terapêuticos de compostos da planta Cannabis sativa

Química nova, 2006-04, Vol.29 (2), p.318-325

2006

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A formação do pós-graduando em química para a docência em nível superior

Química nova, 2006-12, Vol.29 (6), p.1387-1392

2006

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Complexation of the anti-Trypanosoma cruzi Drug Benznidazole Improves Solubility and Efficacy

A mechanistic study of the electrochemical behavior of pendimethalin herbicide

Accurate atomic electron affinities calculated by using anionic Gaussian basis sets

Molecular Features for Antitrypanosomal Activity of Thiosemicarbazones Revealed by OPS-PLS QSAR Studies

Relativistic Prolapse-Free Gaussian Basis Sets of Quadruple‑ζ Quality: (aug-)RPF-4Z. III. The f‑Block Elements

Relativistic Prolapse-Free Gaussian Basis Set of Quadruple‑ζ Quality: (aug-)RPF-4Z. I. The s- and p‑Block Elements

On polarization functions for Gaussian basis sets

Electronic atomic and molecular calculations: applying the generator coordinate method

Relativistic Prolapse-Free Gaussian Basis Set of Quadruple‑ζ Quality: (aug-)RPF-4Z. II. The d‑Block Elements

A molecular modeling study of combretastatin-like chalcones as anticancer agents using PLS, ANN and consensus models

Sugar moiety has a synergistic effect on hydroxylated xanthone for better antioxidant activity of mangiferin

Molecular features for antitrypanosomal activity of thiosemicarbazones revealed by OPS-PLS QSAR studies

Aspectos terapêuticos de compostos da planta Cannabis sativa

Accurate Calculations of Rate Constants for the Forward and Reverse H2O + CO ↔ HCOOH Reactions

Estudo eletroquímico e químico-quântico da oxidação do antidepressivo tricíclico amitriptilina

Theoretical study of dibenzotetraaza[14]annulene complexes with first row transition metals

Relativistic Prolapse-Free Gaussian Basis Sets of Quadruple-[zeta] Quality: (aug-)RPF-4Z. III. The f-Block Elements

CO bonding in FeN4 complexes and the effect of the macrocycle ligand: A DFT study

Quantum chemical DFT study of the interaction between molecular oxygen and FeN4 complexes, and effect of the macrocyclic ligand

A theoretical study on the XeF2 molecule

Docking and molecular dynamics simulation of quinone compounds with trypanocidal activity

A neural networks study of quinone compounds with trypanocidal activity

A formação do pós-graduando em química para a docência em nível superior

Aspectos terapêuticos de compostos da planta Cannabis sativa

A formação do pós-graduando em química para a docência em nível superior

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