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image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Theoretical Chemistr...arrow_drop_down
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
Theoretical Chemistry Accounts
Article . 1980 . Peer-reviewed
License: Springer TDM
Data sources: Crossref
https://dx.doi.org/10.1007/bf0...
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Transition functional schemes for molecular transition energies

descriptionPublicationkeyboard_double_arrow_right Article 01 Jan 1980 English Publisher:Springer Science and Business Media LLCJournal:Theoretica Chimica Acta, volume 56, pages 165-173 (issn: 0040-5744, eissn: 1432-2234, Copyright policy )
Authors: Barry Tennant Pickup; David Warren Sabo; David Firsht;

doi: 10.1007/bf00552469

Transition functional schemes for molecular transition energies

Abstract

Two different transition functionals are used to calculate the first and second ionization potentials of water. The results compare favourably with more costly ΔEscf results. Methods of dealing with convergence problems are discussed.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
1
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