Relativistic and Non-Relativistic Electronic Molecular-Structure Calculations for Dimers of 4p-, 5p-, and 6p-Block Elements (Q58738215)

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9 March 2020

title

Relativistic and non-relativistic electronic molecular-structure calculations for dimers of 4p-, 5p-, and 6p-block elements (English)

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9 March 2020

author name string

Sebastian Höfener

series ordinal

1

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9 March 2020

Stefan Knecht

series ordinal

3

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9 March 2020

publication date

25 September 2012

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9 March 2020

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volume

13

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issue

17

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9 March 2020

page(s)

3952-3957

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Relativistic effects in structural chemistry

9 March 2020

cites work

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7 January 2021

Main Group Atoms and Dimers Studied with a New Relativistic ANO Basis Set

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Application of explicitly correlated coupled-cluster methods to molecules containing post-3d main group elements

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Range-separated density functional theory: A 4-component relativistic study of the rare gas dimers He2, Ne2, Ar2, Kr2, Xe2, Rn2 and Uuo2

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7 January 2021

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7 January 2021

Systematically convergent correlation consistent basis sets for molecular core-valence correlation effects: the third-row atoms gallium through krypton

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7 January 2021

Molecular core-valence correlation effects involving the post-d elements Ga–Rn: Benchmarks and new pseudopotential-based correlation consistent basis sets

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7 January 2021

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Basis-set convergence of correlated calculations on water

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7 January 2021

Characterization of isolated Ga2 molecules by resonance Raman spectroscopy and variations of Ga-Ga bonding

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7 January 2021

Identifiers

DOI

10.1002/CPHC.201200552

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9 March 2020

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