First-principle calculations on the microscopic 57Fe electric-field-gradient tensor of ferrous chloride tetrahydrate: A prototypical Mössbauer species

James N. Bull; Robert G. A. R. MacLagan; W. Craighead Tennant

doi:10.1021/jp206218g

First-principle calculations on the microscopic ⁵⁷Fe electric-field-gradient tensor of ferrous chloride tetrahydrate: A prototypical Mössbauer species

James N. Bull
, Robert G. A. R. MacLagan
, W. Craighead Tennant

Research output: Contribution to journal › Article › peer-review

1 Citation (Scopus)

Original language	English
Pages (from-to)	10655-10663
Journal	Journal of Physical Chemistry A
Volume	115
Issue number	38
DOIs	https://doi.org/10.1021/jp206218g
Publication status	Published - 2011

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10.1021/jp206218g

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title = "First-principle calculations on the microscopic 57Fe electric-field-gradient tensor of ferrous chloride tetrahydrate: A prototypical M{\"o}ssbauer species",

author = "Bull, \{James N.\} and MacLagan, \{Robert G. A. R.\} and Tennant, \{W. Craighead\}",

year = "2011",

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journal = "Journal of Physical Chemistry A",

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publisher = "American Chemical Society",

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T1 - First-principle calculations on the microscopic 57Fe electric-field-gradient tensor of ferrous chloride tetrahydrate: A prototypical Mössbauer species

AU - Bull, James N.

AU - MacLagan, Robert G. A. R.

AU - Tennant, W. Craighead

PY - 2011

Y1 - 2011

UR - https://www.scopus.com/pages/publications/80053122921

U2 - 10.1021/jp206218g

DO - 10.1021/jp206218g

M3 - Article

SN - 0022-3654

VL - 115

SP - 10655

EP - 10663

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 38

ER -

First-principle calculations on the microscopic 57Fe electric-field-gradient tensor of ferrous chloride tetrahydrate: A prototypical Mössbauer species

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First-principle calculations on the microscopic ⁵⁷Fe electric-field-gradient tensor of ferrous chloride tetrahydrate: A prototypical Mössbauer species