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Publications by Emily A. Hull

Valence Virtual Orbitals: An Unambiguous Ab Initio Quantification of the LUMO Concept

Journal of Physical Chemistry A

Theoretical Chemistry

English

Related publications

Comparison of Ab Initio Hartree−Fock and Kohn−Sham Orbitals in the Calculation of Atomic Charge, Bond Index, and Valence

Journal of Physical Chemistry A

Theoretical Chemistry

English

An Ab Initio Exploration of the Bergman Cyclization

English

An Ab Initio Investigation of Boron Bonding

English

An Ab Initio Molecular Orbital Study of Lithiopyridines

Bulletin of the Chemical Society of Japan

English

A Valence-Delocalised Osmium Dimer Capable of Dinitrogen Photocleavage: Ab Initio Insights Into Its Electronic Structure

Chemistry - A European Journal

Organic Chemistry

English

Towards SiC Surface Functionalization: An Ab Initio Study

Journal of Chemical Physics

Theoretical Chemistry

English

Ab Initio Calculations of Dilithiopropenes

Proceedings of the National Academy of Sciences of the United States of America

Multidisciplinary

English

Application of Bonding Molecular Orbitals to the Valence Bands of Diamond

Journal of Chemical Physics

Theoretical Chemistry

English

An Ab Initio and DFT Study of (N2)2 Dimers

Chemical Physics Letters

Theoretical Chemistry

English