(Q58738964)

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Benchmark quality total atomization energies of small polyatomic molecules

article by Jan M. L. Martin & Peter R. Taylor published 22 May 1997 in Journal of Chemical Physics

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Benchmark quality total atomization energies of small polyatomic molecules (English)

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Jan M. L. Martin

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1

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Peter R. Taylor

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2

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language of work or name

English

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publication date

22 May 1997

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published in

Journal of Chemical Physics

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volume

106

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issue

20

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page(s)

8620-8623

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cites work

A fifth-order perturbation comparison of electron correlation theories

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21 January 2018

A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples

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21 January 2018

Ab initio total atomization energies of small molecules — towards the basis set limit

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21 January 2018

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

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21 January 2018

On the performance of correlation consistent basis sets for the calculation of total atomization energies, geometries, and harmonic frequencies

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21 January 2018

The geometry, vibrational frequencies, and total atomization energy of ethylene. A calibration study

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21 January 2018

On the performance of large Gaussian basis sets for the computation of total atomization energies

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21 January 2018

On the effect of core correlation on the geometry and harmonic frequencies of small polyatomic molecules

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21 January 2018

The anharmonic force field of ethylene, C2H4, by means of accurate ab initio calculations

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reference URL

https://api.crossref.org/works/10.1063%2F1.473918

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21 January 2018

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DOI

10.1063/1.473918

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(Q58738964)

Benchmark quality total atomization energies of small polyatomic molecules

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