(Q58687344)

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A purely ab initio spectroscopic quality quartic force field for acetylene

article published in 1998

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A purely ab initio spectroscopic quality quartic force field for acetylene (English)

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Jan M. L. Martin

1

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Timothy J. Lee

series ordinal

2

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Peter R. Taylor

series ordinal

3

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language of work or name

English

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publication date

8 January 1998

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published in

Journal of Chemical Physics

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volume

108

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issue

2

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page(s)

676-691

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cites work

An Accurate ab Initio Quartic Force Field for Formaldehyde and Its Isotopomers

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https://api.crossref.org/works/10.1063%2F1.475429

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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

Accurate ab initio quartic force fields for the N2O and CO2 molecules

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21 January 2018

On the necessity offbasis functions for bending frequencies

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reference URL

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21 January 2018

An accurate ab initio quartic force field and vibrational frequencies for CH4 and isotopomers

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reference URL

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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

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21 January 2018

Accurate ab initio quartic force field and vibrational frequencies of the NH4+ ion and its deuterated forms

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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

A fifth-order perturbation comparison of electron correlation theories

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21 January 2018

An efficient closed-shell singles and doubles coupled-cluster method

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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

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

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21 January 2018

An accurate ab initio quartic force field and vibrational frequencies for cyclopropenylidene

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21 January 2018

The harmonic frequencies of benzene. A case for atomic natural orbital basis sets

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21 January 2018

Basis set convergence for geometry and harmonic frequencies. Are h functions enough?

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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

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

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21 January 2018

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

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21 January 2018

Harmonically coupled, anharmonic oscillator model for the bending modes of acetylene

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retrieved

21 January 2018

Identifiers

DOI

10.1063/1.475429

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(Q58687344)

A purely ab initio spectroscopic quality quartic force field for acetylene

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