(Q58739197)

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An accurate ab initio quartic force field for ammonia

article published in 1992

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An accurate ab initio quartic force field for ammonia (English)

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J. M. L. Martin

1

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Timothy J. Lee

series ordinal

2

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Peter R. Taylor

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3

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language of work or name

English

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publication date

December 1992

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published in

Journal of Chemical Physics

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volume

97

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page(s)

8361-8371

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issue

11

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cites work

First principles computation of thermochemical properties beyond the harmonic approximation. I. Method and application to the water molecule and its isotopomers

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21 January 2018

Rotational structure of ammonia N–H stretch overtones: Five and six quanta bands

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21 January 2018

Spectroscopy and intramolecular dynamics of highly excited vibrational states of NH3

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21 January 2018

Modeling the rotational and vibrational structure of the i.r. optical spectrum of NH3

1 reference

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21 January 2018

Reaction path power series analysis of NH3 inversion

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21 January 2018

Quadratic configuration interaction. A general technique for determining electron correlation energies

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21 January 2018

First principles computation of thermochemical properties beyond the harmonic approximation. II. Application to the amino radical NH2

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21 January 2018

Theoretical characterization of tetrahedral N4

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21 January 2018

The vibrational frequencies of ozone

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A fifth-order perturbation comparison of electron correlation theories

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

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21 January 2018

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

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21 January 2018

Comparison of the quadratic configuration interaction and coupled-cluster approaches to electron correlation including the effect of triple excitations

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Comparison of coupled‐cluster methods which include the effects of connected triple excitations

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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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The effects of triple and quadruple excitations in configuration interaction procedures for the quantum mechanical prediction of molecular properties

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21 January 2018

Identifiers

DOI

10.1063/1.463406

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(Q58739197)

An accurate ab initio quartic force field for ammonia

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