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Gibbs, G. V., Cox, D. F., Rosso, K. M., Ross, N. L., Downs, R. T., Spackman, M. A. (2007) Theoretical Electron Density Distributions for Fe- and Cu-Sulfide Earth Materials:  A Connection between Bond Length, Bond Critical Point Properties, Local Energy Densities, and Bonded Interactions. The Journal of Physical Chemistry B, 111 (8). 1923-1931 doi:10.1021/jp065086i

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Reference TypeJournal (article/letter/editorial)
TitleTheoretical Electron Density Distributions for Fe- and Cu-Sulfide Earth Materials:  A Connection between Bond Length, Bond Critical Point Properties, Local Energy Densities, and Bonded Interactions
JournalThe Journal of Physical Chemistry B
AuthorsGibbs, G. V.Author
Cox, D. F.Author
Rosso, K. M.Author
Ross, N. L.Author
Downs, R. T.Author
Spackman, M. A.Author
Year2007 (March)Volume111
Issue8
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp065086iSearch in ResearchGate
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Mindat Ref. ID3871069Long-form Identifiermindat:1:5:3871069:0
GUID0
Full ReferenceGibbs, G. V., Cox, D. F., Rosso, K. M., Ross, N. L., Downs, R. T., Spackman, M. A. (2007) Theoretical Electron Density Distributions for Fe- and Cu-Sulfide Earth Materials:  A Connection between Bond Length, Bond Critical Point Properties, Local Energy Densities, and Bonded Interactions. The Journal of Physical Chemistry B, 111 (8). 1923-1931 doi:10.1021/jp065086i
Plain TextGibbs, G. V., Cox, D. F., Rosso, K. M., Ross, N. L., Downs, R. T., Spackman, M. A. (2007) Theoretical Electron Density Distributions for Fe- and Cu-Sulfide Earth Materials:  A Connection between Bond Length, Bond Critical Point Properties, Local Energy Densities, and Bonded Interactions. The Journal of Physical Chemistry B, 111 (8). 1923-1931 doi:10.1021/jp065086i
In(2007, March) The Journal of Physical Chemistry B Vol. 111 (8) American Chemical Society (ACS)

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Gibbs, G. V., Spackman, M. A., Jayatilaka, D., Rosso, K. M., Cox, D. F. (2006) Bond Length and Local Energy Density Property Connections for Non-Transition-Metal Oxide-Bonded Interactions. The Journal of Physical Chemistry A, 110 (44). 12259-12266 doi:10.1021/jp062992m
Gibbs, G. V., Ross, N. L., Cox, D. F., Rosso, K. M., Iversen, B. B., Spackman, M. A. (2014) Pauling bond strength, bond length and electron density distribution. Physics and Chemistry of Minerals, 41 (1) 17-25 doi:10.1007/s00269-013-0619-z
Gibbs, G. V., Downs, R. T., Cox, D. F., Rosso, K. M., Ross, N. L., Kirfel, A., Lippmann, T., Morgenroth, W., Crawford, T. D. (2008) Experimental Bond Critical Point and Local Energy Density Properties Determined for Mn−O, Fe−O, and Co−O Bonded Interactions for Tephroite, Mn2SiO4, Fayalite, Fe2SiO4, and Co2SiO4Olivine and Selected Organic Metal Complexes: Comparison with Properties Calculated for Non-Transition and Transition Metal M−O Bonded Interactions for Silicates and Oxides. The Journal of Physical Chemistry A, 112 (37). 8811-8823 doi:10.1021/jp804280j
Gibbs, G. V., Cox, D. F., Crawford, T. D., Rosso, K. M., Ross, N. L., Downs, R. T. (2006) Classification of metal-oxide bonded interactions based on local potential- and kinetic-energy densities. The Journal of Chemical Physics, 124 (8). 84704pp. doi:10.1063/1.2161425
Gibbs, G. V., Cox, D. F., Rosso, K. M., Kirfel, A., Lippmann, T., Blaha, P., Schwarz, K. (2005) Experimental and theoretical bond critical point properties for model electron density distributions for earth materials. Physics and Chemistry of Minerals, 32 (2) 114-125 doi:10.1007/s00269-005-0456-9
Gibbs, G. V., Downs, R. T., Prewitt, C. T., Rosso, K. M., Ross, N. L., Cox, D. F. (2005) Electron Density Distributions Calculated for the Nickel Sulfides Millerite, Vaesite, and Heazlewoodite and Nickel Metal:  A Case for the Importance of Ni−Ni Bond Paths for Electron Transport. The Journal of Physical Chemistry B, 109 (46). 21788-21795 doi:10.1021/jp054109a
Gibbs, G. V., Wallace, A. F., Zallen, R., Downs, R. T., Ross, N. L., Cox, D. F., Rosso, K. M. (2010) Bond Paths and van der Waals Interactions in Orpiment, As2S3. The Journal of Physical Chemistry A, 114 (23). 6550-6557 doi:10.1021/jp102391a
Gibbs, G. V., Boisen, M. B., Hill, F. C., Tamada, O., Downs, R. T. (1998) SiO and GeO bonded interactions as inferred from the bond critical point properties of electron density distributions. Physics and Chemistry of Minerals, 25 (8) 574-584 doi:10.1007/s002690050150
Gibbs, G. V., Cox, D. F., Rosso, K. M. (2004) A Connection between Empirical Bond Strength and the Localization of the Electron Density at the Bond Critical Points of the SiO Bonds in Silicates. The Journal of Physical Chemistry A, 108 (38). 7643-7645 doi:10.1021/jp047202s
Gibbs, G. V., Downs, R. T., Cox, D. F., Ross, N. L., Boisen,, M. B., Rosso, K. M. (2008) Shared and Closed-Shell O−O Interactions in Silicates. The Journal of Physical Chemistry A, 112 (16). 3693-3699 doi:10.1021/jp076396j
Gibbs, G. V., Hill, F. C., Boisen, M. B., Downs, R. T. (1998) Power law relationships between bond length, bond strength and electron density distributions. Physics and Chemistry of Minerals, 25 (8) 585-590 doi:10.1007/s002690050151
 
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