Combined fragmentation method: A simple method for fragmentation of large molecules HA Le, HJ Tan, JF Ouyang, RPA Bettens Journal of chemical theory and computation 8 (2), 469-478, 2012 | 95 | 2012 |
Accurately reproducing ab initio electrostatic potentials with multipoles and fragmentation HA Le, AM Lee, RPA Bettens The Journal of Physical Chemistry A 113 (39), 10527-10533, 2009 | 36 | 2009 |
Reaction Dynamics of H3+ + CO on an Interpolated Potential Energy Surface HA Le, TJ Frankcombe, MA Collins The Journal of Physical Chemistry A 114 (40), 10783-10788, 2010 | 16 | 2010 |
A theoretical study on cyclacenes: Analytical tight‐binding approach S Battaglia, H Le, GL Bendazzoli, N Faginas‐Lago, T Leininger, ... International Journal of Quantum Chemistry 118 (12), e25569, 2018 | 10 | 2018 |
Distributed multipoles and energies of flexible molecules HA Le, RPA Bettens Journal of Chemical Theory and Computation 7 (4), 921-930, 2011 | 9 | 2011 |
Occupied-orbital fast multipole method for efficient exact exchange evaluation HA Le, T Shiozaki Journal of Chemical Theory and Computation 14 (3), 1228-1234, 2018 | 7 | 2018 |