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ORCID"Use of molecular dynamics simulations with ab initio SCF ..."
Rolf Eggenberger et al. (1993)
- Rolf Eggenberger, Stefan Gerber, Hanspeter Huber, Debra Searles
, Marc Welker:
Use of molecular dynamics simulations with ab initio SCF calculations for the determination of the deuterium quadrupole coupling constant in liquid water and bond lengths in ice. J. Comput. Chem. 14(12): 1553-1560 (1993)
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