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Relativistic calculation of nuclear magnetic shielding using normalized elimination of the small component
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10.1063/1.2204606
/content/aip/journal/jcp/124/22/10.1063/1.2204606
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/22/10.1063/1.2204606
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Tables

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Table I.

The used parameters , , and in atomic units. The parameters , , and are defined in text.

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Table II.

The sizes of the used basis sets and the ranges of for the used exponents

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Table III.

Calculated of nuclear magnetic shielding tensor components (in ppm) in (, Cl, Br, I) systems by the NESC-ZORA and NESC-SORA methods.

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/content/aip/journal/jcp/124/22/10.1063/1.2204606
2006-06-13
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Relativistic calculation of nuclear magnetic shielding using normalized elimination of the small component
http://aip.metastore.ingenta.com/content/aip/journal/jcp/124/22/10.1063/1.2204606
10.1063/1.2204606
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