The use of molecular dynamics simulations with ab initio SCF calculations for the determination of the oxygen-17 quadrupole coupling constant in liquid water

Author： Eggenberger Rolf   Gerber Stefan   Huber Hanspeter   Searles Debra   Welker Marc  

Publisher： Taylor & Francis Ltd

ISSN： 1362-3028

Source： Molecular Physics, Vol.80, Iss.5, 1993-12, pp. : 1177-1182

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