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  The Most Stable CNDO/2 Water Dimer

Thiel, W. (1978). The Most Stable CNDO/2 Water Dimer. Theoretica Chimica Acta, 48(4), 357-359. doi:10.1007/PL00020135.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0029-0369-8 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0029-036A-6
Genre: Journal Article

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 Creators:
Thiel, Walter1, Author           
Affiliations:
1Fachbereich Physikalische Chemie der Universität, D-3550 Marburg, Federal Republic of Germany, ou_persistent22              

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Free keywords: Hydrogen bonding; Water dimer
 Abstract: The most stable CNDO/2 water dimer is a planarC2h species with a partial O-O bond. STO-3G calculations indicate that the stability of this structure is due to an artifact of the CNDO/2 method.

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Language(s): eng - English
 Dates: 1977-12-161978-12
 Publication Status: Issued
 Pages: 3
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1007/PL00020135
 Degree: -

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Title: Theoretica Chimica Acta
  Other : TCHAAM
  Abbreviation : Theor. Chim. Acta
Source Genre: Journal
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Affiliations:
Publ. Info: Heidelberg : Springer-Verlag
Pages: - Volume / Issue: 48 (4) Sequence Number: - Start / End Page: 357 - 359 Identifier: ISSN: 0040-5744
CoNE: https://pure.mpg.de/cone/journals/resource/0040-5744