Ab initio quantum mechanical calculation of the chemical shift anisotropy of the hydrogen atom in the (Hi2O)17 cluster

Ab initio quantum mechanical calculation of the chemical shift anisotropy of the hydrogen atom in the (Hi2O)17 cluster

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Bibliographic Details
Published in:Journal of the American Chemical Society Vol. 114; no. 5; pp. 1604 - 1605
Main Authors: HINTON, J. F, GUTHRIE, P, PULAY, P, WOLINSKI, K
Format: Journal Article
Language:English
Published: Washington, DC American Chemical Society 01-02-1992
Subjects:
Atomic and molecular clusters
Atomic and molecular physics
Exact sciences and technology
Physics
Studies of special atoms, molecules and their ions; clusters
Water
Chemical shift
Anisotropy
Ab initio method
Molecular cluster
Theoretical study
Gauge invariance
Inorganic compound
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Description
ISSN:0002-7863
1520-5126
DOI:10.1021/ja00031a010