Physical imageversusstructure relation. Part 14-an attempt to rationalize some acidic region13C NMR-pH titration shifts for tetraaza macrocycles throughout the conformational GIAO DFT computational results: a pendant-armcyclamcase-Reference-Cited by-同舟云学术

Physical imageversusstructure relation. Part 14-an attempt to rationalize some acidic region13C NMR-pH titration shifts for tetraaza macrocycles throughout the conformational GIAO DFT computational results: a pendant-armcyclamcase

Published:2009-09 Issue:9 Volume:22 Page:834-844
ISSN:0894-3230
Container-title:Journal of Physical Organic Chemistry
language:en
Short-container-title:J. Phys. Org. Chem.

Author:

Nazarski Ryszard B.

Publisher

Wiley

Subject

Organic Chemistry,Physical and Theoretical Chemistry

Reference86 articles.

1. Efficient implementation of the gauge-independent atomic orbital method for NMR chemical shift calculations

2. Comparison of NMR Shieldings Calculated from Hartree−Fock and Density Functional Wave Functions Using Gauge-Including Atomic Orbitals

3. A comparison of models for calculating nuclear magnetic resonance shielding tensors

4. Computed 13C NMR Chemical Shifts via Empirically Scaled GIAO Shieldings and Molecular Mechanics Geometries. Conformation and Configuration from 13C Shifts

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