DFT Study of Structure and Vibrations in Low-Lying Spin States of Five-Coordinated Deoxyheme Model-Reference-Cited by-同舟云学术

DFT Study of Structure and Vibrations in Low-Lying Spin States of Five-Coordinated Deoxyheme Model

Published:2000-10-21 Issue:45 Volume:104 Page:10659-10666
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Kozlowski Pawel M.¹,Spiro Thomas G.¹,Zgierski Marek Z.¹

Affiliation:

1. Department of Chemistry, University of Louisville, Louisville, Kentucky 40292, Department of Chemistry, Princeton University, Princeton, New Jersey 08544, and Steacie Institute for Molecular Sciences, National Research Council of Canada, Ottawa, K1A 0R6, Canada

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp001463u

Reference23 articles.

1. The crystal structure of human deoxyhaemoglobin at 1.74 Å resolution

2. Regulation of Oxygen Affinity of Hemoglobin: Influence of Structure of the Globin on the Heme Iron

3. Stereochemistry of Cooperative Effects in Haemoglobin: Haem–Haem Interaction and the Problem of Allostery

4. Low-Lying Spin States of Iron(II) Porphine

5. DFT-SQM Force Field for Nickel Porphine: Intrinsic Ruffling

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