(Q58687620)

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

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author name string

J. M. L. Martin

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1

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Timothy J. Lee

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2

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language of work or name

English

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publication date

15 May 1993

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published in

Journal of Chemical Physics

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volume

98

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issue

10

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page(s)

7951-7957

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cites work

Molecular structure and infrared spectrum of protonated nitrous oxide

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stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.464549

retrieved

21 January 2018

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

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.464549

retrieved

21 January 2018

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

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.464549

retrieved

21 January 2018

The structure and energetics of the HCN → HNC transition state

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.464549

retrieved

21 January 2018

A fifth-order perturbation comparison of electron correlation theories

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.464549

retrieved

21 January 2018

An efficient formulation and implementation of the analytic energy gradient method to the single and double excitation coupled‐cluster wave function: Application to Cl2O2

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.464549

retrieved

21 January 2018

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

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.464549

retrieved

21 January 2018

Analytic gradients for coupled‐cluster energies that include noniterative connected triple excitations: Application to cis‐ and trans‐HONO

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.464549

retrieved

21 January 2018

The vibrational frequencies of ozone

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.464549

retrieved

21 January 2018

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

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.464549

retrieved

21 January 2018

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

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.464549

retrieved

21 January 2018

Ab initio multireference study of the BN molecule

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.464549

retrieved

21 January 2018

Bond distance and vibrational spectrum of the molecular cation NO+2

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.464549

retrieved

21 January 2018

Ab initio study of the molecular structure and vibrational spectrum of nitric acid and its protonated forms

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.464549

retrieved

21 January 2018

On the necessity offbasis functions for bending frequencies

1 reference

stated in

Crossref

reference URL

https://api.crossref.org/works/10.1063%2F1.464549

retrieved

21 January 2018

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10.1063/1.464549

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(Q58687620)

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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