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 | 72 | 2008 |
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 | 18 | 2018 |
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 | 16 | 2013 |
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 | 11 | 2015 |
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 | 8 | 2010 |
“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 | 6 | 2015 |