Accurate Thermochemical and Kinetic Stabilities of C84 Isomers

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

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

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

Synthesis, characterisation and structure determination of 3-[(1Z)-{2-[bis({[(2-methylphenyl)methyl]sulfanyl})methylidene]hydrazin-1-ylidene}methyl]benzene-1,2-diol

- Md Yusof, Enis Nadia, Tiekink, Edward R. T., Jotani, Mukesh M., Simone, Michela I., Page, Alister J., Begum, Thahira B. S. A.

Anion ordering and vacancy defects in niobium perovskite oxynitrides

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

Quantum chemical investigation of epoxide and ether groups in graphene oxide and their vibrational spectra

- Page, Alister J., Chou, Chien-Pin, Pham, Buu Q., Witek, Henryk A., Irle, Stephan, Morokuma, Keiji

Oxygen Vacancy Defect Migration in Titanate Perovskite Surfaces: Effect of the A-Site Cations

- Brown, Joshua J., Ke, Zhuofeng, Geng, Wei, Page, Alister J.

Ab initio electronic and rovibrational structure of MgH₂²⁺

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

Effect of halides on the solvation of poly(ethylene oxide) in the ionic liquid propylammonium nitrate

- Stefanovic, Ryan, Chen, Zhengfei, FitzGerald, Paul A., Warr, Gregory G., Atkin, Rob, Page, Alister J., Webber, Grant B.

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.

Homoleptic tin(IV) compounds containing tridentate ONS dithiocarbazate Schiff bases: synthesis, X-ray crystallography, DFT and cytotoxicity studies

- Md Yusof, Enis Nadia, Latif, Muhammad A. M., Tahir, Mohamed I. M., Sakoff, Jennette A., Veerakumarasivam, Abhi, Page, Alister J., Tiekink, Edward R. T., Ravoof, Thahira B. S. A.

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

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

Revealing the dual role of hydrogen for growth inhibition and defect healing in polycyclic aromatic hydrocarbon formation: QM/MD simulations

- Li, Hai-Bei, Page, Alister J., Irle, Stephan, Morokuma, Keiji

Cytotoxicity of Tin(IV)-based compounds: a review

- Yusof, Enis Nadia Md, Ravoof, Thahira B. S. A., Page, Alister J.

Chiral-selective carbon nanotube etching with ammonia: a quantum chemical investigation

- Eveleens, Clothilde A., Hijikata, Yuh, Irle, Stephan, Page, Alister J.

Nucleation of graphene precursors on transition metal surfaces: insights from theoretical simulations

- Page, Alister J., Wang, Ying, Li, Hai-Bei, Irle, Stephan, Morokuma, Keiji

Nanostructure of propylammonium nitrate in the presence of poly(ethylene oxide) and halide salts

- Stefanovic, Ryan, Webber, Grant B., Page, Alister J.

Electronic structure and high-temperature thermochemistry of BaZrO₃₋δ perovskite from first-principles calculations

- Ghose, Krishna K., Bayon, Alicia, Hinkley, Jim, Page, Alister J.

Graphene nucleation on a surface-molten copper catalyst: Quantum chemical molecular dynamics simulations

- Li, Hai-Bei, Page, Alister J., Hettich, Christian, Aradi, Bálint, Köhler, Chistof, Frauenheim, Thomas, Irle, Stephen, Morokuma, Keiji

Temperature dependence of catalyst-free chirality-controlled single-walled carbon nanotube growth from organic templates

- Li, Hai-Bei, Page, Alister J., Irle, Stephan, Morokuma, Keiji

Trends in low-lying electronic states of XH₂ (X = Li, Na, K)

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