A Theoretical Study of 31P and 95Mo NMR Chemical Shifts in M(CO)5PR3 (M = Cr, Mo; R = H, CH3, C6H5, F, and Cl) Based on Density Functional Theory and Gauge-Including Atomic Orbitals-Reference-Cited by-同舟云学术

A Theoretical Study of 31P and 95Mo NMR Chemical Shifts in M(CO)5PR3 (M = Cr, Mo; R = H, CH3, C6H5, F, and Cl) Based on Density Functional Theory and Gauge-Including Atomic Orbitals

Published:1998-05-01 Issue:22 Volume:102 Page:3970-3976
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Ruiz-Morales Yosadara¹,Ziegler Tom¹

Affiliation:

1. Department of Chemistry, The University of Calgary, Calgary, Alberta, Canada T2N 1N4

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp973308u

Reference93 articles.

1. Multinuclear NMR

2. Relativistic effects in structural chemistry

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