Wikidata

(Q59211548)

English

The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces

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Statements

title
The calculation of ab initio molecular geometries: efficient optimization by natural internal coordinates and empirical correction by offset forces (English)
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author name string
Geza Fogarasi
series ordinal
1
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Xuefeng Zhou
series ordinal
2
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Patterson W. Taylor
series ordinal
3
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Peter Pulay
series ordinal
4
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publication date
October 1992
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volume
114
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issue
21
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page(s)
8191-8201
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Identifiers

DOI
10.1021/JA00047A032
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