Alain St‐Amant

University of Ottawa — Canada

Physics and Astronomy · Physical Sciences

18h-index1.5kcitations32works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(25), Inorganic Fluorides and Related Compounds(8), Spectroscopy and Quantum Chemical Studies(6), Protein Structure and Dynamics(5), Catalysis and Oxidation Reactions(5)

Publications32 total

Propane Fuel Cells: Selectivity for Partial or Complete Reaction
Journal of Fuels·2014· 3 citedOpen Access
Nickel Alloy Catalysts for the Anode of a High Temperature PEM Direct Propane Fuel Cell
Journal of Chemistry·2014· 4 citedOpen Access
Monte Carlo free energy calculations using electronic structure methods
The Journal of Chemical Physics·2008· 2 cited
Methane Oxidation Mechanism on Pt(111):  A Cluster Model DFT Study
The Journal of Physical Chemistry B·2006· 134 cited
A computational study of the water-catalyzed formation of NH2CH2OH
Chemical Physics Letters·2005· 31 cited
LINEAR SCALING FOR DENSITY FUNCTIONAL CALCULATIONS ON LARGE MOLECULES WITH THE DEFT SOFTWARE PACKAGE
Journal of Theoretical and Computational Chemistry·2004· 17 cited
An ab initio and Density Functional Study of Al<sub>3</sub>As, Al<sub>3</sub>As<sup>‐</sup>, AlAs<sub>3</sub>, and AlAs<sub>3</sub><sup>‐</sup>.
ChemInform·2002
On the structure and electron photodetachment spectra of Ga3P− and Ga3As−
Chemical Physics Letters·2002· 21 cited
An ab Initio and Density Functional Study of Al<sub>3</sub>As, Al<sub>3</sub>As<sup>-</sup>, AlAs<sub>3</sub>, and AlAs<sub>3</sub><sup>-</sup>
The Journal of Physical Chemistry A·2002· 21 cited
Structure and Electron Detachment Energies of Al<sub>3</sub>P <sup>-</sup> and Al<sub>3</sub>P<sub>3</sub><sup>-</sup>
The Journal of Physical Chemistry A·2002· 26 cited
Electron detachment energies of AlAs− and AlAs2−
Chemical Physics Letters·2002· 7 cited
On the photoelectron spectrum of Ga2P2−
Chemical Physics Letters·2000· 22 cited
Ab initio and B3LYP–DFT calculations of GaP− and GaP2−: the electron affinities and vibrational frequencies of GaP and GaP2
Chemical Physics Letters·2000· 30 cited
On the Structure of Al<sub>2</sub>O<sub>3</sub> and Photoelectron Spectra of Al<sub>2</sub>O<sub>2</sub><sup>-</sup> and Al<sub>2</sub>O<sub>3</sub><sup>-</sup>
The Journal of Physical Chemistry A·1999· 49 cited
Molecular Structure of the AlO<sub>2</sub> Dimer, Al<sub>2</sub>O<sub>4</sub>
The Journal of Physical Chemistry A·1998· 30 cited
A study of Gen− and Gen (n=2–6) using B3LYP-DFT and CCSD(T) methods: The structures and electron affinities of small germanium clusters
The Journal of Chemical Physics·1998· 71 cited
A scalable divide-and-conquer algorithm combining coarse and fine-grain parallelization
Theoretical Chemistry Accounts·1998· 4 cited
The cyclic MO2 (M=Al, Ga) systems: CCSD(T) and DFT studies of their structures, harmonic vibrational frequencies, and dissociation energies
Chemical Physics Letters·1998· 37 cited
Toward linear scaling with fitted exchange-correlation terms in the LCGTO-DF method via a divide-and-conquer approach
International Journal of Quantum Chemistry·1998· 15 citedOpen Access
Improving the efficiency and reliability of the divide-and-conquer approach to constructing the electronic density
Chemical Physics Letters·1997· 7 cited
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Frequent Co-authors

Edet F. Archibong(11), Sor Koon Goh(7), Dennis R. Salahub(6), Imre Pápai(4), Marten Ternan(3), Jiro Ushio(3), Roger T. Gallant(3), Dennis S. Marynick(2), Shadi Vafaeyan(2), George Psofogiannakis(1), René Fournier(1), P. Młynarski(1), I. P�pai(1), Annick Goursot(1), Delphine Courmier(1), Fabrice Gardebien(1), Christian Minot(1), D. M. Shaw(1), Carlos P. Sosa(1), Daniel R. Matusek(1)