共 50 条
- [1] Validation of intermolecular transfer integral and bandwidth calculations for organic molecular materials JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (23):
- [7] Path integrals and ab initio molecular dynamics MONTE CARLO AND MOLECULAR DYNAMICS OF CONDENSED MATTER SYSTEMS, 1996, 49 : 649 - 666
- [8] Ab initio calculations of intermolecular interaction potentials of corannulene dimer JOURNAL OF PHYSICAL CHEMISTRY A, 1998, 102 (04): : 740 - 743
- [9] Determination of a methane intermolecular potential model for use in molecular simulations from ab initio calculations JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (07): : 3368 - 3377
- [10] Determination of an ethane intermolecular potential model for use in molecular simulations from ab initio calculations JOURNAL OF CHEMICAL PHYSICS, 2001, 114 (14): : 6058 - 6067