Is HO3− multiple-minimum and floppy? Covalent to van der Waals isomerization and bond rupture of a peculiar anion

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Is HO3− multiple-minimum and floppy? Covalent to van der Waals isomerization and bond rupture of a peculiar anion

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im Januar 2014 veröffentlichter wissenschaftlicher Artikel

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scientific article published on 01 August 2014

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wetenschappelijk artikel

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наукова стаття, опублікована у 2014

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Is HO3− multiple-minimum and f ...... nd rupture of a peculiar anion

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Is HO3− multiple-minimum and f ...... nd rupture of a peculiar anion

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Is HO3− multiple-minimum and f ...... nd rupture of a peculiar anion

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Is HO3− multiple-minimum and f ...... nd rupture of a peculiar anion

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Is HO3− multiple-minimum and f ...... nd rupture of a peculiar anion

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Is HO3− multiple-minimum and f ...... nd rupture of a peculiar anion

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P1476

Is HO3(-) multiple-minimum and ...... nd rupture of a peculiar anion

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P2093

A. J. C. Varandas

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P2860

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

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

Infrared action spectroscopy and dissociation dynamics of the HOOO radical.

The thermodynamics of the elusive HO3 radical.

Is HO3 minimum cis or trans? An analytic full-dimensional ab initio isomerization path.

Ab Initio Treatment of Bond-Breaking Reactions: Accurate Course of HO3 Dissociation and Revisit to Isomerization.

Weakly bound molecules in the atmosphere: a case study of HOOO.

Coupled-cluster reaction barriers of HO2+H2O+O3: An application of the coupled-cluster//Kohn-Sham density functional theory model chemistry.

Toward subchemical accuracy in computational thermochemistry: focal point analysis of the heat of formation of NCO and [H,N,C,O] isomers.

Relative energies and geometries of the cis- and trans-HO3 radicals from the parametric 2-electron density matrix method.

P304

16997-17007

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P31

scholarly article

P356

10.1039/C4CP01757A

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P407

English

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P478

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P50

António Varandas

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2014-08-01T00:00:00Z

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P698

25008185

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