Intermolecular interaction energies for deprotonated complexes

摘要

The intermolecular interaction energies of the deprotonated hydrogen-bonded complexes F-(HF), F-(H2O), F-(NH3), Cl-(HF), SH-(HF), H2P-(HF), OH-(H2O), OH-(H2O)(2), OH-(NH3), Cl-(H2O), SH-(H2O), H2P-(H2O), Cl-(NH3), SH-(NH3), H2P-(NH3), Cl-(HCl), Cl-(H2S), Cl-(PH3), SH-(H2S), SH-(PH3), and H2P-(PH3) in complete basis set limit at the MP2, MP4, QCISD(T), and CCSD(T) levels were calculated with correlation consistent basis sets. (C) 2004 Wiley Periodicals, Inc.