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IGLO Calculations of Phosphorus NMR Chemical Shifts

1993; Taylor & Francis; Volume: 77; Issue: 1-4 Linguagem: Inglês

10.1080/10426509308045630

1563-5325

Ulrich Fleischer, Werner Kutzelnigg,

Organoboron and organosilicon chemistry

Abstract The IGLO-method1 (IGLO stands for Individual Gauge for Localized Orbitals) is a coupled Hartree-Fock (CHF) type method for the calculation of NMR shielding tensors and the magnetic susceptibilities of (closed shell) molecules.