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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 global reaction route mapping-based kinetic Monte Carlo algorithm
- Mitchell, Izaac, Irle, Stephan, 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
Ab initio study of ground state MH₂, HMHe⁺ and MHe₂²⁺, M = Mg, Ca
Ab initio vibrational spectrum of (²Σ⁺) He-MgH²⁺
Accurate Thermochemical and Kinetic Stabilities of C84 Isomers
- Waite, Simone L., Chan, Bun, Karton, Amir, 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
Boron nitride nucleation mechanism during chemical vapor deposition
Carbon coating precedes SWCNT nucleation on silicon nanoparticles: insights from QM/MD simulations
- Chandrakumar, K. R. S., Page, Alister J., Irle, Stephan, Morokuma, Keiji
Catalyst- and etchant-dependent mechanisms of single-walled carbon nanotube nucleation during chemical vapor deposition
- Eveleens, Clothilde A., Page, Alister J.
Catalytic CVD synthesis of boron nitride and carbon nanomaterials - synergies between experiment and theory
- McLean, Ben, Eveleens, Clothilde A., Mitchell, Izaac, Webber, Grant B., Page, Alister J.
Chiral-selective carbon nanotube etching with ammonia: a quantum chemical investigation
- Eveleens, Clothilde A., Hijikata, Yuh, Irle, Stephan, Page, Alister J.
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