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Collect. Czech. Chem. Commun. 1998, 63, 1107-1142
https://doi.org/10.1135/cccc19981107

Full Configuration Interaction Energies, Geometries, and Quartic Force Fields of the Nitrenium Ion

Timothy J. Van Huis, Matthew L. Leininger, C. David Sherrill and Henry F. Schaefer, III

Center for Computational Quantum Chemistry, University of Georgia, Athens, GA 30602, U.S.A.

Crossref Cited-by Linking

  • Falvey Daniel E.: Discrete Existence of Singlet Nitrenium Ions Revisited: Computational Studies of Non-Aryl Nitrenium Ions and Their Rearrangements. ACS Omega 2018, 3, 10418. <https://doi.org/10.1021/acsomega.8b01038>
  • Borodkin G. I., Shubin V. G.: Nitrenium Ions and Problem of Direct Electrophilic Amination of Aromatic Compounds. Russ J Org Chem 2005, 41, 473. <https://doi.org/10.1007/s11178-005-0193-z>
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  • Császár Attila G., Leininger Matthew L.: Scaled higher-order correlation energies: In pursuit of the complete basis set full configuration interaction limit. The Journal of Chemical Physics 2001, 114, 5491. <https://doi.org/10.1063/1.1351882>
  • Sinnokrot Mutasem Omar, Sherrill C. David: Density functional theory predictions of anharmonicity and spectroscopic constants for diatomic molecules. The Journal of Chemical Physics 2001, 115, 2439. <https://doi.org/10.1063/1.1386412>
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  • Stephens Jeffrey C., Yamaguchi Yukio, Schaefer III Henry F.: The adiabatic and vertical ionization potentials of NH2 to the three lowest-lying states of NH2+ . Journal of Molecular Structure: THEOCHEM 1999, 461-462, 41. <https://doi.org/10.1016/S0166-1280(98)00420-5>
  • Van Huis Timothy J., Wesolowski Steven S., Yamaguchi Yukio, Schaefer Henry F.: Scratching the surface of the water dication. The Journal of Chemical Physics 1999, 110, 11856. <https://doi.org/10.1063/1.479127>