3-Dimensional atomic scale structure of the ionic liquid-graphite interface elucidated by AM-AFM and quantum chemical simulations.

- Page, Alister J., Elbourne, Aaron, Stefanovic, Ryan, Addicoat, Matthew A., Warr, Gregory G., Voïtchovsky, Kislon, Atkin, Rob

A first-principles alternative to empirical solvent parameters

- Gregory, Kasimir P., Wanless, Erica J., Webber, Grant B., Craig, Vincent S. J., Page, Alister J.

A global reaction route mapping-based kinetic Monte Carlo algorithm

- Mitchell, Izaac, Irle, Stephan, Page, Alister J.

A graph neural network model with local environment pooling for predicting adsorption energies

- Li, Xinyu, Chiong, Raymond, Hu, Zhongyi, Page, Alister J.

A Quantum Chemical Molecular Dynamics Repository of Solvated Ions

- Gregory, Kasimir P., Elliott, Gareth R., Wanless, Erica J., Webber, Grant B., Page, Alister J.

Ab initio calculations of the electronic structure of the ground states of HBeHe⁺ and BeHe²₂⁺

- Page, Alister J., Wilson, David J. D., von Nagy-Felsobuki, Ellak I.

Ab initio electronic and rovibrational structure of MgH₂²⁺

- Page, Alister J., von Nagy-Felsobuki , Ellak I.

Ab Initio investigation of the electronic structure and rovibrational spectroscopy of group-I and II metal hydrides and helides

- Page, Alister J.

Ab initio properties and potential energy surface of the ground electronic state of BeHe⁺₂

- Page, Alister J., Wilson, David J. D., von Nagy-Felsobuki , Ellak I.

Ab initio rovibrational spectra of BeH²₂⁺ BeHD²⁺ and BeD²₂⁺

- Page, Alister J., von Nagy-Felsobuki, Ellak I.

Ab initio rovibrational spectrum of the NaH₂⁺ ion-quadrupole complex

- Page, Alister J., von Nagy-Felsobuki, Ellak I.

Ab initio study of ground state MH₂, HMHe⁺ and MHe₂²⁺, M = Mg, Ca

- Page, Alister J., von Nagy-Felsobuki , Ellak I.

Ab initio vibrational spectrum of (²Σ⁺) He-MgH²⁺

- Page, Alister J., von Nagy-Felsobuki, Ellak I.

Accurate and Efficient Computation of the Fundamental Bandgap of the Vacancy-Ordered Double Perovskite Cs2TiBr6

- Ingall, J. E., Linscott, Edward, Colonna, Nicola, Page, Alister J., Keast, Vicki J.

Accurate Thermochemical and Kinetic Stabilities of C84 Isomers

- Waite, Simone L., Chan, Bun, Karton, Amir, Page, Alister J.

Affinities of solvated rare earth cations with collectors and mineral interfaces: A density functional theory investigation

- Brown, Joshua J., Page, Alister J.

Anion ordering and vacancy defects in niobium perovskite oxynitrides

- Brown, Joshua J., Shao, Youxiang, Ke, Zhuofeng, Page, Alister J.

Assessment of the density functional tight binding method for protic ionic liquids

- Addicoat, Matthew A., Stefanovic, Ryan, Webber, Grant B., Atkin, Rob, Page, Alister J.

Boron nitride nanotube nucleation during Ni-catalyzed boron oxide chemical vapor deposition

- McLean, Ben, Webber, Grant B., Page, Alister J.

Boron nitride nanotube nucleation via network fusion during catalytic chemical vapor deposition

- McLean, Ben, Webber, Grant B., Page, Alister J.