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Stephen J. Kolmann
Stephen J. Kolmann
Adresse e-mail validée de chem.usyd.edu.au
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Modelling the interaction of molecular hydrogen with lithium-doped hydrogen storage materials
SJ Kolmann, B Chan, MJT Jordan
Chemical Physics Letters 467 (1-3), 126-130, 2008
722008
Zero-point energy conservation in classical trajectory simulations: Application to H2CO
KLK Lee, MS Quinn, SJ Kolmann, SH Kable, MJT Jordan
The Journal of Chemical Physics 148 (19), 2018
182018
Quantum effects and anharmonicity in the H2-Li+-benzene complex: a model for hydrogen storage materials
SJ Kolmann, JH D'Arcy, MJT Jordan
The Journal of Chemical Physics 139 (23), 2013
152013
Path integral Monte Carlo simulations of H2 adsorbed to lithium-doped benzene: A model for hydrogen storage materials
LP Lindoy, SJ Kolmann, JH D’Arcy, DL Crittenden, MJT Jordan
The Journal of Chemical Physics 143 (19), 2015
102015
Method and basis set dependence of anharmonic ground state nuclear wave functions and zero-point energies: Application to SSSH
SJ Kolmann, MJT Jordan
The Journal of chemical physics 132 (5), 2010
82010
“Plug-and-Play” potentials: Investigating quantum effects in (H2) 2–Li+–benzene
JH D’Arcy, SJ Kolmann, MJT Jordan
The Journal of Chemical Physics 143 (7), 2015
62015
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