(Q58445570)

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Electronic structures, vibrational spectra, and revised assignment of aniline and its radical cation: Theoretical study

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Electronic structures, vibrational spectra, and revised assignment of aniline and its radical cation: Theoretical study (English)

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Pavel Hobza

4

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Wiktor Zierkiewicz

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2

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Wiktor Zierkiewicz

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Piotr Wojciechowski

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1

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Piotr M. Wojciechowski

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author name string

Danuta Michalska

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3

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English

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publication date

22 June 2003

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number of pages

12

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Journal of Chemical Physics

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volume

118

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issue

24

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page(s)

10900-10911

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cites work

Size-Specific Infrared Spectra of Benzene-(H2O)n Clusters (n = 1 through 7): Evidence for Noncyclic (H2O)n Structures

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https://api.crossref.org/works/10.1063%2F1.1574788

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21 January 2018

Structure, Energetics, and Dynamics of the Nucleic Acid Base Pairs: NonempiricalAb InitioCalculations

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https://api.crossref.org/works/10.1063%2F1.1574788

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21 January 2018

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

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https://api.crossref.org/works/10.1063%2F1.1574788

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21 January 2018

Note on an Approximation Treatment for Many-Electron Systems

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21 January 2018

Analysis of the geometry of the hydroxymethyl radical by the “different hybrids for different spins” natural bond orbital procedure

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21 January 2018

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions

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21 January 2018

Why is the N1–H stretch vibration frequency of guanine shifted upon dimerization to the red and the amino N–H stretch vibration frequency to the blue?

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https://api.crossref.org/works/10.1063%2F1.1574788

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21 January 2018

Amino groups in nucleic acid bases, aniline, aminopyridines, and aminotriazine are nonplanar: Results of correlatedabinitioquantum chemical calculations and anharmonic analysis of the aniline inversion motion

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reference URL

https://api.crossref.org/works/10.1063%2F1.1574788

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21 January 2018

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DOI

10.1063/1.1574788

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(Q58445570)

Electronic structures, vibrational spectra, and revised assignment of aniline and its radical cation: Theoretical study

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