"Use of molecular dynamics simulations with ab initio SCF ..."

Name: dblp XML data dump
Creator: Schloss Dagstuhl - Leibniz Center for Informatics
Published: 1993
License: https://creativecommons.org/publicdomain/zero/1.0/
Keywords: dblp, XML, computer science, scholarly publications, metadata

Rolf Eggenberger et al. (1993)

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DOI: 10.1002/JCC.540141218

access: closed

type: Journal Article

metadata version: 2020-04-01

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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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