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Nanoscience

Working Paper

Can room temperature data for tunneling molecular junctions be analyzed within a theoretical framework assuming zero temperature?

Ioan Baldea

Version 1 posted 17 February 2023

115

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Nanoscience

Working Paper

Dichotomy between Level Broadening and Level Coupling to Electrodes in Large Area EGaIn Molecular Junctions

Ioan Baldea

Version 1 posted 22 February 2024

30

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Nanoscience

Working Paper

Comment on "A single level tunneling model for molecular junctions: evaluating the simulation methods'" by Opodi et al

Ioan Baldea

Version 1 posted 17 February 2023

102

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1

Citations

Biological and Medicinal Chemistry

Working Paper

Antioxidant Activity via Free Radical Scavenging of Pitavastatin and Its Hydroxylated Metabolites. A Quantum Chemical Attempt Aiming to Assist Drug Development

Ioan Baldea

Version 1 posted 12 April 2023

79

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Theoretical and Computational Chemistry

Working Paper

Two Theorems and Important Insight on How the Preferred Mechanism of Free Radical Scavenging Cannot Be Settled

Ioan Baldea

Version 1 posted 24 August 2022

151

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Nanoscience

Working Paper

Can tunneling current in molecular junctions be so strongly temperature dependent to challenge a hopping mechanism? Analytical formulas answer this question and provide important insight into large area junctions

Ioan Baldea

Version 1 posted 24 November 2023

95

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Biological and Medicinal Chemistry

Working Paper

Critical analysis of radical scavenging properties of atorvastatin in methanol recently estimated via density functional theory

Ioan Baldea

Version 1 posted 28 June 2022

78

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1

Citations

Earth, Space, and Environmental Chemistry

Working Paper

Chemical bonding in representative astrophysically relevant neutral, cation, and anion HCnH chains

Ioan Baldea

Version 1 posted 04 July 2022

159

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1

Citations

Biological and Medicinal Chemistry

Working Paper

Why Ortho- and Para-Hydroxy Metabolites Can Scavenge Free Radicals That the Parent Atorvastatin Cannot? Important Pharmacologic Insight from Quantum Chemistry

Ioan Baldea

Version 1 posted 29 July 2022

88

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Nanoscience

Working Paper

Estimating the Number of Molecules in Molecular Junctions Merely Based on the Low Bias Tunneling Conductance at Variable Temperature

Ioan Baldea

Version 1 posted 11 November 2022

131

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10 results in Ioan Baldea in Authors: Ioan Baldea

Can room temperature data for tunneling molecular junctions be analyzed within a theoretical framework assuming zero temperature?

Dichotomy between Level Broadening and Level Coupling to Electrodes in Large Area EGaIn Molecular Junctions

Comment on "A single level tunneling model for molecular junctions: evaluating the simulation methods'" by Opodi et al

Antioxidant Activity via Free Radical Scavenging of Pitavastatin and Its Hydroxylated Metabolites. A Quantum Chemical Attempt Aiming to Assist Drug Development

Two Theorems and Important Insight on How the Preferred Mechanism of Free Radical Scavenging Cannot Be Settled

Can tunneling current in molecular junctions be so strongly temperature dependent to challenge a hopping mechanism? Analytical formulas answer this question and provide important insight into large area junctions

Critical analysis of radical scavenging properties of atorvastatin in methanol recently estimated via density functional theory

Chemical bonding in representative astrophysically relevant neutral, cation, and anion HCnH chains

Why Ortho- and Para-Hydroxy Metabolites Can Scavenge Free Radicals That the Parent Atorvastatin Cannot? Important Pharmacologic Insight from Quantum Chemistry

Estimating the Number of Molecules in Molecular Junctions Merely Based on the Low Bias Tunneling Conductance at Variable Temperature

10 results in Authors: Ioan Baldea