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Journal Abstract Search

252 related items for PubMed ID: 22275164

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  • 2. Accounting for the differences in the structures and relative energies of the highly homoatomic np pi-np pi (n > or = 3)-bonded S2I4 2+, the Se-I pi-bonded Se2I4 2+, and their higher-energy isomers by AIM, MO, NBO, and VB methodologies.
    Brownridge S, Crawford MJ, Du H, Harcourt RD, Knapp C, Laitinen RS, Passmore J, Rautiainen JM, Suontamo RJ, Valkonen J.
    Inorg Chem; 2007 Feb 05; 46(3):681-99. PubMed ID: 17257010
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  • 3. Ozone and Other 1,3-Dipoles: Toward a Quantitative Measure of Diradical Character.
    Braïda B, Galembeck SE, Hiberty PC.
    J Chem Theory Comput; 2017 Jul 11; 13(7):3228-3235. PubMed ID: 28590736
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  • 10. Electronic structures and molecular properties of chalcogen nitrides Se2N2 and SeSN2.
    Tuononen HM, Suontamo R, Valkonen J, Laitinen RS, Chivers T.
    J Phys Chem A; 2005 Jul 21; 109(28):6309-17. PubMed ID: 16833973
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  • 12. Captodative Substitution Enhances the Diradical Character of Compounds, Reduces Aromaticity, and Controls Single-Molecule Conductivity Patterns: A Valence Bond Study.
    Stuyver T, Danovich D, Shaik S.
    J Phys Chem A; 2019 Aug 15; 123(32):7133-7141. PubMed ID: 31318209
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  • 19. Aromaticity of organic heterocyclothiazenes and analogues.
    Fowler PW, Rees CW, Soncini A.
    J Am Chem Soc; 2004 Sep 15; 126(36):11202-12. PubMed ID: 15355101
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  • 20. What makes the trifluoride anion F3 - so special? A breathing-orbital valence bond ab initio study.
    Braïda B, Hiberty PC.
    J Am Chem Soc; 2004 Nov 17; 126(45):14890-8. PubMed ID: 15535716
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