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Publications by Peter G. Nelson

Lanthanide Ionization Energies and the Sub-Shell Break. Part 2. The Third and Fourth Ionization Energies

Journal of Physical and Chemical Reference Data

Theoretical Chemistry

English

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Electronic Properties of Neuroleptics: Ionization Energies of Benzodiazepines

Journal of Molecular Modeling

Organic Chemistry

Theoretical Chemistry

Inorganic Chemistry

Computer Science Applications

Computational Theory

English

Predicting the Catalytic Activity of Surface Oxidation Reactions by Ionization Energies

English

Electronic Structure and Spectroscopy of Nucleic Acid Bases: Ionization Energies, Ionization-Induced Structural Changes, and Photoelectron Spectra

Journal of Physical Chemistry A

Theoretical Chemistry

English

Electron-Impact Excitation and Ionization of Atomic Calcium at Intermediate Energies

Physical Review A

Molecular Physics,

English

Modeling Heavy Ion Ionization Energy Loss at Low and Intermediate Energies

English

Electron-Impact Double Ionization of Helium at High Energies

Physical Review A

English

Benchmarking Theory With an Improved Measurement of the Ionization and Dissociation Energies of H2

Physical Review Letters

English

Interpretation of the Kohn–Sham Orbital Energies as Approximate Vertical Ionization Potentials

Journal of Chemical Physics

Theoretical Chemistry

English

Slater Half-Occupation Technique Revisited: The LDA-1/2 and GGA-1/2 Approaches for Atomic Ionization Energies and Band Gaps in Semiconductors

English