(Q58739027)

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Structure and relative energetics of C2n+1 (n = 2−7) carbon clusters using coupled cluster and hybrid density functional methods

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Structure and relative energetics of C2n+1 (n = 2−7) carbon clusters using coupled cluster and hybrid density functional methods (English)

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Jan M.L. Martin

1

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author name string

Jamal El-Yazal

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2

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Jean-Pierre François

series ordinal

3

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publication date

April 1996

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published in

Chemical Physics Letters

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volume

252

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issue

1-2

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page(s)

9-18

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cites work

On the structure and vibrational frequencies of C20

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Structure and stability of molecular carbon: Importance of electron correlation

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Structure and infrared spectroscopy of the C11 molecule

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7 January 2021

Infrared laser spectroscopy of the linear C13 carbon cluster

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7 January 2021

The C7 cluster: structure and infrared frequencies

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The C9 cluster: structure and infrared frequencies

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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

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Density-functional thermochemistry. III. The role of exact exchange

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7 January 2021

Structure and vibrational spectra of carbon clusters Cn (n = 2–10, 12, 14, 16, 18) using density functional theory including exact exchange contributions

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A fifth-order perturbation comparison of electron correlation theories

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A comparison of the efficiency and accuracy of the quadratic configuration interaction (QCISD), coupled cluster (CCSD), and Brueckner coupled cluster (BCCD) methods

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

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

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The protonation of N2O reexamined: A case study on the reliability of various electron correlation methods for minima and transition states

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Ab initio study of the infrared spectra of linear Cn clusters (n=6–9)

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Accurate and simple analytic representation of the electron-gas correlation energy

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On the vibrational spectrum of C9, C11 and C13

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7 January 2021

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DOI

10.1016/S0009-2614(96)00180-7

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(Q58739027)

Structure and relative energetics of C2n+1 (n = 2−7) carbon clusters using coupled cluster and hybrid density functional methods

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