The Use of Molecular-Dynamics Simulations with Ab-Initio Scf Calculations for the Determination of the O-17 Quadrupole Coupling-Constant in Liquid Water

Eggenberger, R, Gerber, S, Huber, H, Searles, D and Welker, M (1993) The Use of Molecular-Dynamics Simulations with Ab-Initio Scf Calculations for the Determination of the O-17 Quadrupole Coupling-Constant in Liquid Water. Molecular Physics, 80 5: 1177-1182. doi:10.1080/00268979300102961


Author Eggenberger, R
Gerber, S
Huber, H
Searles, D
Welker, M
Title The Use of Molecular-Dynamics Simulations with Ab-Initio Scf Calculations for the Determination of the O-17 Quadrupole Coupling-Constant in Liquid Water
Journal name Molecular Physics   Check publisher's open access policy
ISSN 0026-8976
Publication date 1993-12
Sub-type Article (original research)
DOI 10.1080/00268979300102961
Volume 80
Issue 5
Start page 1177
End page 1182
Total pages 6
Language eng
Keyword Electric-Field Gradients
Intermolecular Interactions
O-17
Deuterium
Ice
Relaxation
Resonance
Moments
1St
H-2
Q-Index Code C1
Q-Index Status Provisional Code
Institutional Status Unknown

Document type: Journal Article
Sub-type: Article (original research)
Collection: Australian Institute for Bioengineering and Nanotechnology Publications
 
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