Magnetic Properties of Ni2+(aq) from First Principles-Reference-Cited by-同舟云学术

Magnetic Properties of Ni2+(aq) from First Principles

Published:2011-08-30 Issue:10 Volume:7 Page:3248-3260
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Mareš Jiří¹,Liimatainen Helmi²,Pennanen Teemu O.²,Vaara Juha¹

Affiliation:

1. NMR Research Group, Department of Physics, University of Oulu, P.O. Box 3000, FIN-90014, Oulu, Finland

2. Laboratory of Physical Chemistry, Department of Chemistry, University of Helsinki, P.O. Box 55 (A. I. Virtasen aukio 1), FIN-00014, Helsinki, Finland

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200336c

Reference39 articles.

1. The OH vibrational spectrum of liquid water from combined ab initio and Monte Carlo calculations

2. Abinitiocalculation of the deuterium quadrupole coupling in liquid water

3. Solvent Effect on the NMR Chemical Shieldings in Water Calculated by a Combination of Molecular Dynamics and Density Functional Theory

4. Medium Effects on51V NMR Chemical Shifts: A Density Functional Study

5. Thermal and solvent effects on57Fe NMR chemical shifts

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