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Understanding the differences between iron and palladium in cross-coupling reactions

Physical chemistry chemical physics : PCCP, 2019-05, Vol.21 (19), p.9651-9664

2019

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Orbital Signatures as a Descriptor of Regioselectivity and Chemical Reactivity: The Role of the Frontier Orbitals on 1,3-Dipolar Cycloadditions

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-02, Vol.115 (5), p.824-833

2011

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The search for new COX-2 inhibitors: a review of 2002 - 2008 patents

Expert opinion on therapeutic patents, 2009-09, Vol.19 (9), p.1193-1228

2009

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TiO2–Cu photocatalysts: a study on the long- and short-range chemical environment of the dopant

Journal of materials science, 2013-06, Vol.48 (11), p.3904-3912

2013

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Structure and bonding in triorganotin chlorides: a perspective from energy decomposition analysis

Journal of molecular modeling, 2019-09, Vol.25 (9), p.279-8, Article 279

2019

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Construction and Assessment of Reaction Models of Class I EPSP Synthase: Molecular Docking and Density Functional Theoretical Calculations

Journal of biomolecular structure & dynamics, 2009-10, Vol.27 (2), p.195-207

2009

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Nature of the Ru−NO Coordination Bond: Kohn–Sham Molecular Orbital and Energy Decomposition Analysis

ChemistryOpen (Weinheim), 2017-06, Vol.6 (3), p.410-416

2017

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Ionic desorption in PMMA–gamma-Fe2O3 hybrid materials induced by fast electrons: An experimental and theoretical investigation

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 2014-01, Vol.117, p.276-283

2014

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Understanding the Molecular Behavior of Organotin Compounds to Design their Effective Use as Agrochemicals: Exploration via Quantum Chemistry and Experiments

Journal of biomolecular structure & dynamics, 2010-10, Vol.28 (2), p.227-238

2010

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Structural characterization, thermal properties, and density functional theory studies of PMMA-maghemite hybrid material

Polymer composites, 2016-01, Vol.37 (1), p.51-60

2016

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Construction and assessment of reaction models between F1F0-synthase and organotin compounds: molecular docking and quantum calculations

Journal of biomolecular structure & dynamics, 2013-10, Vol.31 (10), p.1175-1181

2013

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Synthesis, Structural Characterization, and Thermal Properties of the Poly(methylmethacrylate)/[delta]-FeOOH Hybrid Material: An Experimental and Theoretical Study

Journal of nanomaterials, 2016-12, Vol.2016

2016

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Synthesis, Structural Characterization, and Thermal Properties of the Poly(methylmethacrylate)/δ-FeOOH Hybrid Material: An Experimental and Theoretical Study

Journal of nanomaterials, 2016-01, Vol.2016, p.1-7

2016

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Asymmetric identity SN2 transition states: Nucleophilic substitution at α-substituted carbon and silicon centers

International journal of mass spectrometry, 2017-02, Vol.413, p.85-91

2017

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TiO2aCu photocatalysts: a study on the long- and short-range chemical environment of the dopant

Journal of materials science, 2013-06, Vol.48 (11), p.3904-3912

2013

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Degradation of organic compounds in a fenton system based on chitosan/Fe0/Fe2O3 composites: a theoretical and experimental study

Journal of the Iranian Chemical Society, 2016-02, Vol.13 (2), p.377-386

2016

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Randomized Trial of BCG Vaccine to Protect against Covid-19 in Health Care Workers

The New England journal of medicine, 2023-04, Vol.388 (17), p.1582-1596

2023

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A higher flexibility at the SARS-CoV-2 main protease active site compared to SARS-CoV and its potentialities for new inhibitor virtual screening targeting multi-conformers

Journal of biomolecular structure & dynamics, 2022-01, Vol.40 (19), p.9214-9234

2022

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Effects of Protective Mechanical Ventilation With Different PEEP Levels on Alveolar Damage and Inflammation in a Model of Open Abdominal Surgery: A Randomized Study in Obese Versus Non-obese Rats

Frontiers in physiology, 2019-12, Vol.10, p.1513-1513

2019

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Invariant Natural Killer T-cells and their subtypes may play a role in the pathogenesis of endometriosis

Clinics (São Paulo, Brazil), 2022-01, Vol.77, p.100032-100032, Article 100032

2022

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Multicenter study of the natural history and therapeutic responses of patients with chikungunya, focusing on acute and chronic musculoskeletal manifestations - a study protocol from the clinical and applied research in Chikungunya (REPLICK network)

BMC infectious diseases, 2023-07, Vol.23 (1), p.499-499, Article 499

2023

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Actions and changes in the logistics policy in pandemic times: a case study of a funeral home

Holos (Natal, RN), 2020-12, Vol.5, p.1-15

2020

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Chemical composition and antimicrobial activity of essential oil of flowers from Banisteriopsis campestris (A. Juss.) Little

Revista Virtual de Química, 2018, Vol.10 (5), p.1562-1577

2018

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Understanding the differences between iron and palladium in cross-coupling reactions

Orbital Signatures as a Descriptor of Regioselectivity and Chemical Reactivity: The Role of the Frontier Orbitals on 1,3-Dipolar Cycloadditions

The search for new COX-2 inhibitors: a review of 2002 - 2008 patents

TiO2–Cu photocatalysts: a study on the long- and short-range chemical environment of the dopant

Structure and bonding in triorganotin chlorides: a perspective from energy decomposition analysis

Construction and Assessment of Reaction Models of Class I EPSP Synthase: Molecular Docking and Density Functional Theoretical Calculations

Nature of the Ru−NO Coordination Bond: Kohn–Sham Molecular Orbital and Energy Decomposition Analysis

Ionic desorption in PMMA–gamma-Fe2O3 hybrid materials induced by fast electrons: An experimental and theoretical investigation

Understanding the Molecular Behavior of Organotin Compounds to Design their Effective Use as Agrochemicals: Exploration via Quantum Chemistry and Experiments

Structural characterization, thermal properties, and density functional theory studies of PMMA-maghemite hybrid material

Construction and assessment of reaction models between F1F0-synthase and organotin compounds: molecular docking and quantum calculations

Synthesis, Structural Characterization, and Thermal Properties of the Poly(methylmethacrylate)/[delta]-FeOOH Hybrid Material: An Experimental and Theoretical Study

Synthesis, Structural Characterization, and Thermal Properties of the Poly(methylmethacrylate)/δ-FeOOH Hybrid Material: An Experimental and Theoretical Study

Asymmetric identity SN2 transition states: Nucleophilic substitution at α-substituted carbon and silicon centers

TiO2aCu photocatalysts: a study on the long- and short-range chemical environment of the dopant

Degradation of organic compounds in a fenton system based on chitosan/Fe0/Fe2O3 composites: a theoretical and experimental study

Randomized Trial of BCG Vaccine to Protect against Covid-19 in Health Care Workers

A higher flexibility at the SARS-CoV-2 main protease active site compared to SARS-CoV and its potentialities for new inhibitor virtual screening targeting multi-conformers

Effects of Protective Mechanical Ventilation With Different PEEP Levels on Alveolar Damage and Inflammation in a Model of Open Abdominal Surgery: A Randomized Study in Obese Versus Non-obese Rats

Invariant Natural Killer T-cells and their subtypes may play a role in the pathogenesis of endometriosis

Comparison of outcomes of unrelated bone marrow and umbilical cord blood transplants in children with acute leukemia

Multicenter study of the natural history and therapeutic responses of patients with chikungunya, focusing on acute and chronic musculoskeletal manifestations - a study protocol from the clinical and applied research in Chikungunya (REPLICK network)

BCG vaccination of healthcare workers for protection against COVID-19: 12-month outcomes from an international randomised controlled trial

Actions and changes in the logistics policy in pandemic times: a case study of a funeral home

Chemical composition and antimicrobial activity of essential oil of flowers from Banisteriopsis campestris (A. Juss.) Little

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