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article · 1987

Basis set and correlation effects on computed positive ion hydrogen bond energies of the complexes AHn · AHn + 1+1: AHn = NH3, OH2, and FH

Abstract Basis set expansion and correlation effects on computed hydrogen bond energies of the positive ion complexes AH n · AH n + 1 +1 , for AH n = NH 3 , ...

39 citationsDOI: https://doi.org/10.1002/jcc.540080609
Basis set and correlation effects on computed positive ion hydrogen bond energies of the complexes AHn · AHn + 1+1: AHn = NH3, OH2, and FH