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Quantum Mechanical Assessment of Protein-Ligand Hydrogen Bond Strength Patterns: Insights from Semiempirical Tight-Binding and Local Vibrational Mode Theory

International journal of molecular sciences, 2023-03, Vol.24 (7), p.6311

2023

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Automatic Generation of Local Vibrational Mode Parameters: From Small to Large Molecules and QM/MM Systems

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2022-12, Vol.126 (49), p.9313-9331

2022

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Chemical bonding in Uranium‐based materials: A local vibrational mode case study of Cs2UO2Cl4 and UCl4 crystals

Journal of computational chemistry, 2024-05, Vol.45 (14), p.1130-1142

2024

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Hydroxychloroquine Exhibits a Strong Complex Interaction with DNA: Unraveling the Mechanism of Action

The journal of physical chemistry letters, 2020-11, Vol.11 (22), p.9528-9534

2020

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Dynamics of the Energy Transfer Process in Eu(III) Complexes Containing Polydentate Ligands Based on Pyridine, Quinoline, and Isoquinoline as Chromophoric Antennae

Inorganic chemistry, 2022-10, Vol.61 (41), p.16333-16346

2022

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Linear versus Bent Uranium(II) MetallocenesA Local Vibrational Mode Study

Inorganic chemistry, 2023-08, Vol.62 (31), p.12510-12524

2023

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Enhancing the Luminescence of Eu(III) Complexes with the Ruthenocene Organometallic Unit as Ancillary Ligand

Inorganic chemistry, 2022-08, Vol.61 (34), p.13510-13524

2022

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Exploring Jahn-Teller distortions: a local vibrational mode perspective

Journal of molecular modeling, 2024-04, Vol.30 (4), p.102, Article 102

2024

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Electron traps and energy storage: modeling a bright path to the future

Acta crystallographica Section B, Structural science, crystal engineering and materials, 2023-12, Vol.79 (6), p.430-431

Moura Jr, Renaldo T.

2023

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Hybrid Digital-Droplet Microfluidic Chip for Applications in Droplet Digital Nucleic Acid Amplification: Design, Fabrication and Characterization

Sensors (Basel, Switzerland), 2023-05, Vol.23 (10), p.4927

2023

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Bond analysis in meta- and para-substituted thiophenols: overlap descriptors, local mode analysis, and QTAIM

Journal of molecular modeling, 2024-05, Vol.30 (5), p.139-139, Article 139

2024

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Extraction of uranyl from spent nuclear fuel wastewater via complexation—a local vibrational mode study

Journal of molecular modeling, 2024-07, Vol.30 (7), p.216, Article 216

2024

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Contextualizing Autophagy during Gametogenesis and Preimplantation Embryonic Development

International journal of molecular sciences, 2021-06, Vol.22 (12), p.6313

2021

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Effects of caffeine on the structure and conformation of DNA: A force spectroscopy study

International journal of biological macromolecules, 2019-06, Vol.130, p.1018-1024

2019

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Open-source tool for real-time and automated analysis of droplet-based microfluidic

Lab on a chip, 2023-07, Vol.23 (14), p.3238-3244

2023

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Odd‐Even Effect on Luminescence Properties of Europium Aliphatic Dicarboxylate Complexes

Chemphyschem, 2019-08, Vol.20 (15), p.1931-1940

2019

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Notch inhibition allows oncogene-independent generation of iPS cells

Nature chemical biology, 2014-08, Vol.10 (8), p.632-639

2014

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First complete NMR data and theoretical study of an antimicrobial formylated dihydrochalcone from Psidium guineense Sw

Natural product research, 2022-01, Vol.36 (1), p.419-423

2022

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Foil Strain Gauges Using Piezoresistive Carbon Nanotube Yarn: Fabrication and Calibration

Sensors (Basel, Switzerland), 2018-02, Vol.18 (2), p.464

2018

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Biophysical characterization of the DNA interaction with the biogenic polyamine putrescine: A single molecule study

International journal of biological macromolecules, 2018-06, Vol.112, p.175-178

2018

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Design and characterization of a tuberculostatic hybrid based on interaction of ethambutol with a raw palygorskite

Applied clay science, 2019-11, Vol.181, p.105213, Article 105213

2019

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High Quantum Yield Dual Emission from Gas-Phase Grown Crystalline Si Nanoparticles

Journal of physical chemistry. C, 2014-05, Vol.118 (19), p.10375-10383

2014

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Synthesis and Characterization of the Europium(III) Pentakis(picrate) Complexes with Imidazolium Countercations: Structural and Photoluminescence Study

Inorganic chemistry, 2012-12, Vol.51 (23), p.12867-12878

2012

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Modeling the Eu(III)-to-Cr(III) Energy Transfer Rates in Luminescent Bimetallic Complexes

Inorganics, 2023-01, Vol.11 (1), p.38

2023

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Features of chemical bonds based on the overlap polarizabilities: diatomic and solid-state systems with the frozen-density embedding approach

Physical chemistry chemical physics : PCCP, 2015-03, Vol.17 (12), p.7731-7742

2015

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Quantum Mechanical Assessment of Protein-Ligand Hydrogen Bond Strength Patterns: Insights from Semiempirical Tight-Binding and Local Vibrational Mode Theory

Automatic Generation of Local Vibrational Mode Parameters: From Small to Large Molecules and QM/MM Systems

Chemical bonding in Uranium‐based materials: A local vibrational mode case study of Cs2UO2Cl4 and UCl4 crystals

Hydroxychloroquine Exhibits a Strong Complex Interaction with DNA: Unraveling the Mechanism of Action

Dynamics of the Energy Transfer Process in Eu(III) Complexes Containing Polydentate Ligands Based on Pyridine, Quinoline, and Isoquinoline as Chromophoric Antennae

Linear versus Bent Uranium(II) MetallocenesA Local Vibrational Mode Study

Enhancing the Luminescence of Eu(III) Complexes with the Ruthenocene Organometallic Unit as Ancillary Ligand

Exploring Jahn-Teller distortions: a local vibrational mode perspective

Electron traps and energy storage: modeling a bright path to the future

Hybrid Digital-Droplet Microfluidic Chip for Applications in Droplet Digital Nucleic Acid Amplification: Design, Fabrication and Characterization

Bond analysis in meta- and para-substituted thiophenols: overlap descriptors, local mode analysis, and QTAIM

Extraction of uranyl from spent nuclear fuel wastewater via complexation—a local vibrational mode study

Contextualizing Autophagy during Gametogenesis and Preimplantation Embryonic Development

Effects of caffeine on the structure and conformation of DNA: A force spectroscopy study

Open-source tool for real-time and automated analysis of droplet-based microfluidic

Odd‐Even Effect on Luminescence Properties of Europium Aliphatic Dicarboxylate Complexes

Notch inhibition allows oncogene-independent generation of iPS cells

First complete NMR data and theoretical study of an antimicrobial formylated dihydrochalcone from Psidium guineense Sw

Foil Strain Gauges Using Piezoresistive Carbon Nanotube Yarn: Fabrication and Calibration

Biophysical characterization of the DNA interaction with the biogenic polyamine putrescine: A single molecule study

Design and characterization of a tuberculostatic hybrid based on interaction of ethambutol with a raw palygorskite

High Quantum Yield Dual Emission from Gas-Phase Grown Crystalline Si Nanoparticles

Synthesis and Characterization of the Europium(III) Pentakis(picrate) Complexes with Imidazolium Countercations: Structural and Photoluminescence Study

Modeling the Eu(III)-to-Cr(III) Energy Transfer Rates in Luminescent Bimetallic Complexes

Features of chemical bonds based on the overlap polarizabilities: diatomic and solid-state systems with the frozen-density embedding approach

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