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| 21. |
Appendix 2. A Deformation Density Refinement Program |
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Israel Journal of Chemistry,
Volume 16,
Issue 2‐3,
1977,
Page 226-229
F. L. Hirshfeld,
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摘要:
AbstractA computer program is described that permits the refinement of the static charge deformation in a flexible atom‐centered multipole expansion, together with positional and vibrational parameters, against X‐ray and neutron data. Other options allow for rigid‐body constraints on some or all of the atomic vibration tensors and the imposition of local symmetry on a set of atoms such as a methyl
ISSN:0021-2148
DOI:10.1002/ijch.197700037
出版商:WILEY‐VCH Verlag
年代:1977
数据来源: WILEY
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| 22. |
Masthead |
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Israel Journal of Chemistry,
Volume 16,
Issue 2‐3,
1977,
Page -
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PDF (76KB)
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ISSN:0021-2148
DOI:10.1002/ijch.197700016
出版商:WILEY‐VCH Verlag
年代:1977
数据来源: WILEY
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Volume 16 issue 2‐3