DFT-SQM Force Field for Nickel Porphine: Intrinsic Ruffling-Reference-Cited by-同舟云学术

DFT-SQM Force Field for Nickel Porphine: Intrinsic Ruffling

Published:1999-02-20 Issue:10 Volume:103 Page:1357-1366
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Kozlowski Pawel M.¹,Rush Thomas S.¹,Jarzecki Andrzej A.¹,Zgierski Marek Z.¹,Chase Bruce¹,Piffat Christine¹,Ye Bao-Hui¹,Li Xiao-Yuan¹,Pulay Peter¹,Spiro Thomas G.¹

Affiliation:

1. Department of Chemistry, Princeton University, Princeton, New Jersey 08540, Department of Chemistry, Indiana University, Bloomington, Indiana 47405, Steacie Institute for Molecular Sciences, National Research Council of Canada, Ottawa, Ontario, Canada K1A OR6, DuPont Experimental Station, Wilmington, Delaware 19880, Department of Chemistry, The Hong Kong University of Science and Technology, Clear Water Bay, Kowloon, Hong Kong S.A.R., China, and Department of Chemistry, University of Arkansas,...

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp9819700

Reference41 articles.

1. Resonance Raman Spectroscopy as a Probe of Heme Protein Structure and Dynamics

2. Resonance Raman spectra of octaethylporphyrinato‐Ni(II) andmeso‐deuterated and15N substituted derivatives. I. Observation and assignments of nonfundamental Raman lines

3. Resonance Raman spectra of octaethylporphyrinato‐Ni(II) andmeso‐deuterated and15N substituted derivatives. I. Observation and assignments of nonfundamental Raman lines

4. The normal coordinate analysis of porphin and its derivatives based on the solution of the inverse spectral problem for porphin and Cu porphin—I. A valence force field for in-plane vibrations of the porphin molecule

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