Literature DB >> 16591601

Spin-coupled wave functions for atoms and molecules.

J Gerratt1, W N Lipscomb.   

Abstract

Entities:  

Year:  1968        PMID： 16591601      PMCID： PMC224673          DOI： 10.1073/pnas.59.2.332

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN： 0027-8424            Impact factor:   11.205


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  2 in total

1.  Transition energy and potential energy curves for ionized inner-shell states of CO, O2 and N 2 calculated by several inner-shell multiconfigurational approaches.

Authors:  Carlos E V de Moura; Ricardo R Oliveira; Alexandre B Rocha
Journal:  J Mol Model       Date:  2012-10-16       Impact factor: 1.810

2.  The Origin of the σ-Hole in Halogen Atoms: a Valence Bond Perspective.

Authors:  Davide Franchini; Alessandra Forni; Alessandro Genoni; Stefano Pieraccini; Enrico Gandini; Maurizio Sironi
Journal:  ChemistryOpen       Date:  2020-04-06       Impact factor: 2.911
  2 in total

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