Nuclear magnetic resonance shieldings of water clusters: is it possible to reach the complete basis set limit by extrapolation?

Author: Armangué Lluís   Solà Miquel   Swart Marcel  

Publisher: Taylor & Francis Ltd

ISSN: 1362-3028

Source: Molecular Physics, Vol.111, Iss.9-11, 2013-07, pp. : 1332-1344

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Abstract