NMR Chemical Shielding and Spin−Spin Coupling Constants of Liquid NH3: A Systematic Investigation using the Sequential QM/MM Method-Reference-Cited by-同舟云学术

NMR Chemical Shielding and Spin−Spin Coupling Constants of Liquid NH3: A Systematic Investigation using the Sequential QM/MM Method

Published:2009-09-11 Issue:52 Volume:113 Page:14936-14942
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Gester Rodrigo M.¹,Georg Herbert C.¹,Canuto Sylvio¹,Caputo M. Cristina¹,Provasi Patricio F.¹

Affiliation:

1. Instituto de Física, Universidade de São Paulo, CP 66318, 05315-970, São Paulo, SP, Brazil, Instituto de Física, Universidade Federal de Goiás, CP 131, 74001-970, Goiânia, GO, Brazil, Department of Physics, University of Buenos Aires, Ciudad Universitaria 1400 - Buenos Aires, Argentina, and I-MIT (CONICET) and Department of Physics, Northeastern University, Av. Libertad 5500, W 3404 AAS - Corrientes, Argentina

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp9050484

Reference87 articles.

1. Continuum Solvation Models in Chemical Physics

2. Solvation Effects on Molecules and Biomolecules

3. Solvent Effects in Nuclear Magnetic Resonance Spectra

4. Solvent Effects on Nuclear Shieldings: Continuum or Discrete Solvation Models To Treat Hydrogen Bond and Polarity Effects?

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