3-Dimensional atomic scale structure of the ionic liquid-graphite interface elucidated by AM-AFM and quantum chemical simulations.
- Creator: Page, Alister J. , Elbourne, Aaron , Stefanovic, Ryan , Addicoat, Matthew A. , Warr, Gregory G. , Voïtchovsky, Kislon , Atkin, Rob
- Resource Type: journal article
- Date: 2014
A global reaction route mapping-based kinetic Monte Carlo algorithm
- Creator: Mitchell, Izaac , Irle, Stephan , Page, Alister J.
- Resource Type: journal article
- Date: 2016
A graph neural network model with local environment pooling for predicting adsorption energies
- Creator: Li, Xinyu , Chiong, Raymond , Hu, Zhongyi , Page, Alister J.
- Resource Type: journal article
- Date: 2023
A Quantum Chemical Molecular Dynamics Repository of Solvated Ions
- Creator: Gregory, Kasimir P. , Elliott, Gareth R. , Wanless, Erica J. , Webber, Grant B. , Page, Alister J.
- Resource Type: journal article
- Date: 2022
Ab initio calculations of the electronic structure of the ground states of HBeHe⁺ and BeHe²₂⁺
- Creator: Page, Alister J. , Wilson, David J. D. , von Nagy-Felsobuki, Ellak I.
- Resource Type: journal article
- Date: 2007
Ab initio electronic and rovibrational structure of MgH₂²⁺
- Creator: Page, Alister J. , von Nagy-Felsobuki , Ellak I.
- Resource Type: journal article
- Date: 2008
Ab Initio investigation of the electronic structure and rovibrational spectroscopy of group-I and II metal hydrides and helides
- Creator: Page, Alister J.
- Resource Type: thesis
- Date: 2008
Ab initio properties and potential energy surface of the ground electronic state of BeHe⁺₂
- Creator: Page, Alister J. , Wilson, David J. D. , von Nagy-Felsobuki , Ellak I.
- Resource Type: journal article
- Date: 2006
Ab initio rovibrational spectra of BeH²₂⁺ BeHD²⁺ and BeD²₂⁺
- Creator: Page, Alister J. , von Nagy-Felsobuki, Ellak I.
- Resource Type: journal article
- Date: 2007
Ab initio rovibrational spectrum of the NaH₂⁺ ion-quadrupole complex
- Creator: Page, Alister J. , von Nagy-Felsobuki, Ellak I.
- Resource Type: journal article
- Date: 2009
Ab initio study of ground state MH₂, HMHe⁺ and MHe₂²⁺, M = Mg, Ca
- Creator: Page, Alister J. , von Nagy-Felsobuki , Ellak I.
- Resource Type: journal article
- Date: 2008
Ab initio vibrational spectrum of (²Σ⁺) He-MgH²⁺
- Creator: Page, Alister J. , von Nagy-Felsobuki, Ellak I.
- Resource Type: journal article
- Date: 2009
Accurate Thermochemical and Kinetic Stabilities of C84 Isomers
- Creator: Waite, Simone L. , Chan, Bun , Karton, Amir , Page, Alister J.
- Resource Type: journal article
- Date: 2018
Affinities of solvated rare earth cations with collectors and mineral interfaces: A density functional theory investigation
- Creator: Brown, Joshua J. , Page, Alister J.
- Resource Type: journal article
- Date: 2024
Anion ordering and vacancy defects in niobium perovskite oxynitrides
- Creator: Brown, Joshua J. , Shao, Youxiang , Ke, Zhuofeng , Page, Alister J.
- Resource Type: journal article
- Date: 2021
Assessment of the density functional tight binding method for protic ionic liquids
- Creator: Addicoat, Matthew A. , Stefanovic, Ryan , Webber, Grant B. , Atkin, Rob , Page, Alister J.
- Resource Type: journal article
- Date: 2014
Boron nitride nanotube nucleation during Ni-catalyzed boron oxide chemical vapor deposition
- Creator: McLean, Ben , Webber, Grant B. , Page, Alister J.
- Resource Type: journal article
- Date: 2019
Boron nitride nanotube nucleation via network fusion during catalytic chemical vapor deposition
- Creator: McLean, Ben , Webber, Grant B. , Page, Alister J.
- Resource Type: journal article
- Date: 2019
Boron nitride nucleation mechanism during chemical vapor deposition
- Creator: McLean, Ben , Webber, Grant B. , Page, Alister J.
- Resource Type: journal article
- Date: 2018
Carbon coating precedes SWCNT nucleation on silicon nanoparticles: insights from QM/MD simulations
- Creator: Chandrakumar, K. R. S. , Page, Alister J. , Irle, Stephan , Morokuma, Keiji
- Resource Type: journal article
- Date: 2013