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Reagents for electrophilic amination: a quantum Monte Carlo study

Carlos Amador-Bedolla1, Romelia Salomón-Ferrer, William A Lester

  • 1Departamento de Física y Química Teórica, Facultad de Química, Universidad Nacional Autonóma de México, Mexico.

The Journal of Chemical Physics
|June 8, 2007
PubMed
Summary

Researchers investigated quantum Monte Carlo methods to assess nitrogen lone pair nucleophilicity for electrophilic amination. This approach could screen electrophilic reagents for efficient carbon-nitrogen bond formation.

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