Jane S. Murray

University of New Orleans

United States

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Articles (11)

Year:

2025

Year:

2025

Year:

2025

Electrostatic potentials of phenanthrene plotted on the 0.001 a.u. and 0.01295 a.u. contours of the electronic density, showing clearly the nature of the interaction of the closest hydrogens. Red and yellow are positive surface potentials.

Year:

2024

Year:

2024

Year:

2024

Year:

2024

Year:

2024

Year:

2023

Year:

2022

Year:

2022

Collaborators (5)

Andrea Pizzi

Assistant Professor

Politecnico di Milano

ITALY

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Timothy Clark

Director/Professor

Friedrich-Alexander Universität Erlangen-Nürnberg

GERMANY

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Danny Vanpoucke

professor

Universiteit Hasselt

BELGIUM

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Giuseppe RESNATI

Full Professor

Politecnico di Milano

ITALY

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Tore Brinck

KTH Royal Institute of Technology

SWEDEN

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Jane S. Murray

Research Interests

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Articles (11)

Quantifying water hydrogen bonding from the surface electrostatic potential at varying iso-density contours

No Boundaries and Naturally‐Defined Boundaries Obtained via the Electrostatic Potential

Electrostatic Potentials at Nuclei for Atoms From Z = 1 to Z = 54 Using the aHGBSP1‐5 Basis Set

Probing intramolecular interactions using molecular electrostatic potentials: changing electron density contours to unveil both attractive and repulsive interactions

A Revival of Molecular Surface Electrostatic Potential Statistical Quantities: Ionic Solids and Liquids

Radial Behavior of Electrostatic Potentials of Atoms and Ions Revisited: Isotropy and Anisotropy

The Formation of σ-Hole Bonds: A Physical Interpretation

Probing intramolecular interactions using molecular electrostatic potentials: changing electron density contours to unveil both attractive and repulsive interactions

σ-Hole Interactions Involving a Group 7 Metal: Close Contacts in Neutral and Anionic Rhenium Derivatives

Interpreting the variations in the kinetic and potential energies in the formation of a covalent bond

Electronegativity: A continuing enigma

Collaborators (5)

Andrea Pizzi

Timothy Clark

Danny Vanpoucke

Giuseppe RESNATI

Tore Brinck

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