(Q58739173)

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

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

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author name string

J. M. L. Martin

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1

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J. P. François

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2

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R. Gijbels

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3

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language of work or name

English

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publication date

September 1992

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published in

Journal of Chemical Physics

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volume

97

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page(s)

3530-3536

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issue

5

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cites work

Simple perturbation theory estimates of equilibrium constants from force fields

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21 January 2018

Ab initio spectroscopy and thermochemistry of the BN molecule

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21 January 2018

On the effect of centrifugal stretching on the rotational partition function of an asymmetric top

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21 January 2018

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

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

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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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21 January 2018

A precise solution of the rotation bending Schrödinger equation for a triatomic molecule with application to the water molecule

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21 January 2018

Analytic second derivatives for Renner–Teller potential energy surfaces. Examples of the five distinct cases

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21 January 2018

Potential surfaces and vibronic coupling for the conical intersection of the Ã2A1 and B̃2B2 states of NH2

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reference URL

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21 January 2018

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DOI

10.1063/1.462987

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(Q58739173)

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

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