Gilles H. Peslherbe
Affiliations: | Concordia University (Canada), Montreal, QC, Canada |
Area:
Organic ChemistryGoogle:
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Publications
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| Orabi EA, Peslherbe GH. (2019) Computational insight into hydrogen persulfide and a new additive model for chemical and biological simulations. Physical Chemistry Chemical Physics : Pccp |
| Issack BB, Peslherbe GH. (2019) Accuracy and precision of simulated free energies: water permeation of hydrated DPPC bilayers as a paradigm Molecular Simulation. 45: 466-473 |
| Jahangiri S, Timerghazin QK, Jiang H, et al. (2018) Dramatic C C bond activation on protonation of the persistent nitroxyl radical TEMPO International Journal of Mass Spectrometry. 429: 182-188 |
| Varghese JJ, Saravanan B, Vach H, et al. (2018) First-principles investigation of the coupling-induced dissociation of methane and its transformation to ethane and ethylene Chemical Physics Letters. 708: 21-27 |
| Sacre L, O'Flaherty DK, Archambault P, et al. (2017) O⁴-Alkylated-2'-deoxyuridine repair by O⁶-alkylguanine DNA alkyltransferase is augmented by a C5-fluorine modification. Chembiochem : a European Journal of Chemical Biology |
| Noce A, Peslherbe G. (2016) Transitioning to a hydrogen economy: Kinetic isotope effects of stratospheric monodeuterated hydrogen accumulation International Journal of Hydrogen Energy. 41: 15373-15387 |
| Dolgonos GA, Peslherbe GH. (2016) Can two H 2 molecules be inserted into C 60 – an accurate first-principles exploration of structural, energetic and vibrational properties of the 2H 2 @C 60 complex Chemical Physics Letters. 663: 104-110 |
| Khavryuchenko OV, Wang L, Mitoraj D, et al. (2015) Enabling visible-light water photooxidation by coordinative incorporation of Co(II/III) cocatalytic sites into organic-inorganic hybrids: quantum chemical modeling and photoelectrochemical performance Journal of Coordination Chemistry. 68: 3317-3327 |
| Jahangiri S, Legris-Falardeau V, Peslherbe GH. (2015) Computational investigation of the hydration of alkyl diammonium cations in water clusters Chemical Physics Letters. 621: 85-90 |
| Dolgonos GA, Peslherbe GH. (2014) Encapsulation of diatomic molecules in fullerene C60: implications for their main properties. Physical Chemistry Chemical Physics : Pccp. 16: 26294-305 |