Ab initio molecular orbital study of the structures and energies of neutral and charged bimolecular complexes of water with the hydrides AHn (A = nitrogen, oxygen, fluorine, phosphorus, sulfur, and chlorine)

An ab initio molecular orbital study of

An ab initio molecular orbital study of the structures and energies of neutral and charged bimolecular complexes of NH3 with the hydrides AHn (A = N, O, F, P, S, and Cl)

✍ Janet E. Del Bene 📂 Article 📅 1989 🏛 John Wiley and Sons 🌐 English ⚖ 999 KB

Hartree-Fock 6-31G(d) structures for the neutral, positive ion, and negative ion bimolecular complexes of NH3 with the firstand second-row hydrides AH, (AH, = NH3,0Hz, FH, PH3, SH2, and ClH) have been determined. All of the stable neutral complexes except (NH3)2, the positive ion complexes with NH3