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  A Semiempirical Model for the Two-Center Repulsion Integrals in the NDDO Approximation

Dewar, M. J. S., & Thiel, W. (1977). A Semiempirical Model for the Two-Center Repulsion Integrals in the NDDO Approximation. Theoretica Chimica Acta, 46(2), 89-104. doi:10.1007/BF00548085.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0029-07A5-6 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0029-07A6-4
Genre: Journal Article

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 Creators:
Dewar, Michael J. S.1, Author
Thiel, Walter1, Author           
Affiliations:
1Department of Chemistry, The University of Texas at Austin, Austin, Texas 78712 U.S.A., ou_persistent22              

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Free keywords: Two-center repulsion integrals, NDDO approximation
 Abstract: A self-consistent formalism is proposed for the two-center electron repulsion integrals in the NDDO approximation, based on their expansion in terms of multipole-multipole interactions and free from adjustable parameters.

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Language(s): eng - English
 Dates: 1976-10-261977-06
 Publication Status: Issued
 Pages: 16
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1007/BF00548085
 Degree: -

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Title: Theoretica Chimica Acta
  Other : TCHAAM
  Abbreviation : Theor. Chim. Acta
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: Heidelberg : Springer-Verlag
Pages: - Volume / Issue: 46 (2) Sequence Number: - Start / End Page: 89 - 104 Identifier: ISSN: 0040-5744
CoNE: https://pure.mpg.de/cone/journals/resource/0040-5744