#=============================================================================== # Charge transfer complexes # # From S. Karthikeyan, Robert Sedlak, and Pavel Hobza, # J. Phys. Chem. A 2011, 115, 9422–9428 (dx.doi.org/10.1021/jp1112476) # # MP2/cc-pVTZ, counterpoise corrected # #=============================================================================== # By number 1: 01-c2h2_clf.pdb 2: 02-c2h4_f2.pdb 3: 03-h2o_clf.pdb 4: 04-hcn_clf.pdb 5: 05-nh3_bh3.pdb 6: 06-nh3_cl2.pdb 7: 07-nh3_clf.pdb 8: 08-nh3_f2.pdb 9: 09-nh3_so2.pdb 10: 10-nme3_bh3.pdb 11: 11-nme3_so2.pdb