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pH and Charged Mutations Modulate Cold Shock Protein Folding and Stability: A Constant pH Monte Carlo Study

Journal of chemical theory and computation, 2020-01, Vol.16 (1), p.765-772

2020

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Improvement of enzymatic activity and stability of lipase A from Candida antartica onto halloysite nanotubes with Taguchi method for optimized immobilization

Applied clay science, 2022-10, Vol.228, p.106634, Article 106634

2022

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The influence of pH on the structure and stability of the Grb2 dimer reveals changes in the inter-domain and molecular interaction: Could it be a modulation mechanism?

Biophysical chemistry, 2023-04, Vol.295, p.106973-106973, Article 106973

2023

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Triangular metal nanoprisms of Ag, Au, and Cu: Modeling the influence of size, composition, and excitation wavelength on the optical properties

Chemical physics, 2013-09, Vol.423, p.142-150

2013

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Chitin and Silk Fibroin Biopolymers Modified by Oxone: Efficient Heterogeneous Catalysts for Knoevenagel Reaction

Catalysts, 2022-08, Vol.12 (8), p.904

2022

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Solid standards for positron emitters

Radiation physics and chemistry (Oxford, England : 1993), 2020-02, Vol.167, p.108327, Article 108327

2020

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Spectroscopic and Theoretical Study of the “Azo”-Dye E124 in Condensate Phase: Evidence of a Dominant Hydrazo Form

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2010-01, Vol.114 (1), p.526-534

2010

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The electronic states of TeH(+): a theoretical contribution

The Journal of chemical physics, 2015-01, Vol.142 (2), p.024316-024316

2015

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On the Azo/Hydrazo Equilibrium in Sudan I Azo Dye Derivatives

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-01, Vol.117 (3), p.642-649

2013

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Pt(II) and Pd(II) complexes with ibuprofen hydrazide: Characterization, theoretical calculations, antibacterial and antitumor assays and studies of interaction with CT-DNA

Journal of molecular structure, 2018-02, Vol.1154, p.469-479

2018

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Thermal Rate Constants for the O(3P) + HBr and O(3P) + DBr Reactions: Transition-State Theory and Quantum Mechanical Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013-12, Vol.117 (48), p.12703-12710

2013

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The surprising metastability of TeH2

The Journal of chemical physics, 2013-06, Vol.138 (22), p.224309-224309

2013

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New Columnar Zn-Phthalocyanine Designed for Electronic Applications

The journal of physical chemistry. B, 2012-11, Vol.116 (45), p.13554-13560

2012

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Ab initio characterization of the lowest-lying electronic states of the NaAs molecule

Computational and theoretical chemistry, 2015-07, Vol.1064, p.56-61

2015

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Excited Electronic States, Transition Probabilities, and Radiative Lifetimes of CAs: A Theoretical Contribution and Challenge to Experimentalists

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2011-08, Vol.115 (30), p.8399-8405

2011

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Metastable BrO2+ and NBr2+ molecules in the gas phase

The Journal of chemical physics, 2011-03, Vol.134 (10), p.104303-104303

2011

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Full-dimensional analytical ab initio potential energy surface of the ground state of HOI

The Journal of chemical physics, 2011-07, Vol.135 (4), p.044308-044308-6

2011

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Toward the Optimization of an e-Tongue System Using Information Visualization: A Case Study with Perylene Tetracarboxylic Derivative Films in the Sensing Units

Langmuir, 2012-01, Vol.28 (1), p.1029-1040

2012

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New Molecular Species of Potential Interest to Atmospheric Chemistry: Isomers on the [H, S2, Br] Potential Energy Surface

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-02, Vol.113 (7), p.1397-1402

2009

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A CASSCF/MRCI study of the low-lying electronic states of the BeS molecule

International journal of quantum chemistry, 2011-06, Vol.111 (7-8), p.1694-1700

2011

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Structural and magnetic properties of Fe and Co nanoparticles embedded in powdered Al2O3

Journal of colloid and interface science, 2005-09, Vol.289 (1), p.63-70

2005

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Solid-State Experimental and Theoretical Investigation of the Ammonium Salt of Croconate Violet, a Pseudo-Oxocarbon Ion

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009-06, Vol.113 (23), p.6446-6452

2009

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Intermolecular interaction studies in ammonium squarate: crystal structure and vibrational spectra

Journal of molecular structure, 2005-10, Vol.753 (1), p.147-153

2005

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Crystal structure and vibrational spectra of some metal complexes of pseudo-oxocarbon bis(dicyanomethylene)squarate in its cis and trans forms

Journal of molecular structure, 2008-06, Vol.881 (1), p.57-67

2008

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Thermodynamic profile and molecular modeling of the interaction between Grb2 dimer and flavonoids Rutin and Morin

Journal of molecular structure, 2021-06, Vol.1234, p.130164, Article 130164

2021

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pH and Charged Mutations Modulate Cold Shock Protein Folding and Stability: A Constant pH Monte Carlo Study

Improvement of enzymatic activity and stability of lipase A from Candida antartica onto halloysite nanotubes with Taguchi method for optimized immobilization

The influence of pH on the structure and stability of the Grb2 dimer reveals changes in the inter-domain and molecular interaction: Could it be a modulation mechanism?

Triangular metal nanoprisms of Ag, Au, and Cu: Modeling the influence of size, composition, and excitation wavelength on the optical properties

Chitin and Silk Fibroin Biopolymers Modified by Oxone: Efficient Heterogeneous Catalysts for Knoevenagel Reaction

Solid standards for positron emitters

Spectroscopic and Theoretical Study of the “Azo”-Dye E124 in Condensate Phase: Evidence of a Dominant Hydrazo Form

The electronic states of TeH(+): a theoretical contribution

On the Azo/Hydrazo Equilibrium in Sudan I Azo Dye Derivatives

Pt(II) and Pd(II) complexes with ibuprofen hydrazide: Characterization, theoretical calculations, antibacterial and antitumor assays and studies of interaction with CT-DNA

Thermal Rate Constants for the O(3P) + HBr and O(3P) + DBr Reactions: Transition-State Theory and Quantum Mechanical Calculations

The surprising metastability of TeH2

New Columnar Zn-Phthalocyanine Designed for Electronic Applications

Ab initio characterization of the lowest-lying electronic states of the NaAs molecule

Excited Electronic States, Transition Probabilities, and Radiative Lifetimes of CAs: A Theoretical Contribution and Challenge to Experimentalists

Metastable BrO2+ and NBr2+ molecules in the gas phase

Full-dimensional analytical ab initio potential energy surface of the ground state of HOI

Toward the Optimization of an e-Tongue System Using Information Visualization: A Case Study with Perylene Tetracarboxylic Derivative Films in the Sensing Units

New Molecular Species of Potential Interest to Atmospheric Chemistry: Isomers on the [H, S2, Br] Potential Energy Surface

A CASSCF/MRCI study of the low-lying electronic states of the BeS molecule

Structural and magnetic properties of Fe and Co nanoparticles embedded in powdered Al2O3

Solid-State Experimental and Theoretical Investigation of the Ammonium Salt of Croconate Violet, a Pseudo-Oxocarbon Ion

Intermolecular interaction studies in ammonium squarate: crystal structure and vibrational spectra

Crystal structure and vibrational spectra of some metal complexes of pseudo-oxocarbon bis(dicyanomethylene)squarate in its cis and trans forms

Thermodynamic profile and molecular modeling of the interaction between Grb2 dimer and flavonoids Rutin and Morin

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