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Page, Alister J.

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Structural and energetic trends in Group-I and II hydrohelide cations 26 26 0
Ab initio rovibrational spectrum of the NaH₂⁺ ion-quadrupole complex 66 66 0
Ab initio vibrational spectrum of (²Σ⁺) He-MgH²⁺ 83 82 0
Ab initio calculations of the electronic structure of the ground states of HBeHe⁺ and BeHe²₂⁺ 51 48 0
Temperature dependence of catalyst-free chirality-controlled single-walled carbon nanotube growth from organic templates 0 0 0
Ab initio properties and potential energy surface of the ground electronic state of BeHe⁺₂ 113 111 0
Ab initio study of ground state MH₂, HMHe⁺ and MHe₂²⁺, M = Mg, Ca 103 99 0
Trends in low-lying electronic states of XH₂ (X = Li, Na, K) 29 29 0
Ab Initio investigation of the electronic structure and rovibrational spectroscopy of group-I and II metal hydrides and helides 246 192 45
3-Dimensional atomic scale structure of the ionic liquid-graphite interface elucidated by AM-AFM and quantum chemical simulations. 116 107 1
Stochastic structure determination for conformationally flexible heterogenous molecular clusters: application to ionic liquids 2 2 0
Trends in MH2n+ ion–quadrupole complexes (M = Li, Be, Na, Mg, K, Ca; n = 1, 2) using ab initio methods 30 30 0
Ab initio rovibrational spectra of BeH²₂⁺ BeHD²⁺ and BeD²₂⁺ 73 72 0
Ab initio electronic and rovibrational structure of MgH₂²⁺ 77 75 0
Rovibrational spectra of LiH₂⁺, LiHD⁺ and LiD₂⁺ determined from FCI property surfaces 31 30 0
Molecular dynamics simulation of the low-temperature partial oxidation of CH4 86 70 0
Revealing the dual role of hydrogen for growth inhibition and defect healing in polycyclic aromatic hydrocarbon formation: QM/MD simulations 0 0 0
Nucleation of graphene precursors on transition metal surfaces: insights from theoretical simulations 0 0 0
Quantum chemical investigation of epoxide and ether groups in graphene oxide and their vibrational spectra 0 0 0
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