The equilibrium geometry and electronic structure of the CH5 cation calculated 
with CNDO

Kollmar, Herbert; Smith, O.

doi:10.1016/0009-2614(70)80114-2

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The equilibrium geometry and electronic structure of the CH5 cation calculated with CNDO

Kollmar, H., & Smith, O. (1970). The equilibrium geometry and electronic structure of the CH5 cation calculated with CNDO. Chemical Physics Letters, 2(1), 7-9. doi:10.1016/0009-2614(70)80114-2.

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http://www.sciencedirect.com/science/article/pii/0009261470801142/pdf?md5=5433425cb7fa34a29c99ccc2918e0f2f&pid=1-s2.0-0009261470801142-main.pdf (Any fulltext) Open Access status unknown

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Kollmar, Herbert¹, Author
Smith, O.¹, Author

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1Max Planck Institute for Medical Research, Max Planck Society, ou_1125545

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Abstract: The equilibrium geometry and transition states of the CH5 cation were calculated with a modified CNDO method. The ground state of the system is a species of Cs symmetry. The results were analyzed with energy partitioning and localized orbital methods.

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Language(s): eng - English

Dates: Submitted: 1969-12-01Published Online: 2001-12-21Date issued: 1970-02-15

Publication Status: Issued

Pages: 3

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Rev. Type: Peer

Identifiers: DOI: 10.1016/0009-2614(70)80114-2

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Title: Chemical Physics Letters

Other : Chem. Phys. Lett.

Source Genre: Journal

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Publ. Info: Amsterdam : North-Holland

Pages: - Volume / Issue: 2 (1) Sequence Number: - Start / End Page: 7 - 9 Identifier: ISSN: 0009-2614
CoNE: https://pure.mpg.de/cone/journals/resource/954925389241