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A Computational Quantum Chemical Study of the Bonded Interactions in Earth Materials and Structurally and Chemically Related Molecules

2001; Mineralogical Society of America; Volume: 42; Issue: 1 Linguagem: Inglês

10.2138/rmg.2001.42.10

1943-2666

G. V. Gibbs, M. B. Boisen, Lesa Lynn Beverly, K. M. Rosso,

Geological and Geochemical Analysis

Research Article| January 01, 2001 A Computational Quantum Chemical Study of the Bonded Interactions in Earth Materials and Structurally and Chemically Related Molecules G. V. Gibbs; G. V. Gibbs 1Department of Geological Sciences2Department of Materials Sciences and Engineering3Department of Mathematics, Virginia Tech, Blacksburg, Virginia, 24061, U.S.A. Search for other works by this author on: GSW Google Scholar Monte B. Boisen, Jr.; Monte B. Boisen, Jr. 3Department of Mathematics, Virginia Tech, Blacksburg, Virginia, 24061, U.S.A. Search for other works by this author on: GSW Google Scholar Lesa L. Beverly; Lesa L. Beverly 3Department of Mathematics, Virginia Tech, Blacksburg, Virginia, 24061, U.S.A. Search for other works by this author on: GSW Google Scholar Kevin M. Rosso Kevin M. Rosso 4W.R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, P.O. Box 999, MSIN K8-96, Richland, Washington, 99352, U.S.A. Search for other works by this author on: GSW Google Scholar Author and Article Information G. V. Gibbs 1Department of Geological Sciences2Department of Materials Sciences and Engineering3Department of Mathematics, Virginia Tech, Blacksburg, Virginia, 24061, U.S.A. Monte B. Boisen, Jr. 3Department of Mathematics, Virginia Tech, Blacksburg, Virginia, 24061, U.S.A. Lesa L. Beverly 3Department of Mathematics, Virginia Tech, Blacksburg, Virginia, 24061, U.S.A. Kevin M. Rosso 4W.R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, P.O. Box 999, MSIN K8-96, Richland, Washington, 99352, U.S.A. Publisher: Mineralogical Society of America First Online: 14 Jul 2017 © The Mineralogical Society Of America Reviews in Mineralogy and Geochemistry (2001) 42 (1): 345–381. https://doi.org/10.2138/rmg.2001.42.10 Article history First Online: 14 Jul 2017 Cite View This Citation Add to Citation Manager Share Icon Share Facebook Twitter LinkedIn Email Permissions Search Site Citation G. V. Gibbs, Monte B. Boisen, Lesa L. Beverly, Kevin M. Rosso; A Computational Quantum Chemical Study of the Bonded Interactions in Earth Materials and Structurally and Chemically Related Molecules. Reviews in Mineralogy and Geochemistry 2001;; 42 (1): 345–381. doi: https://doi.org/10.2138/rmg.2001.42.10 Download citation file: Ris (Zotero) Refmanager EasyBib Bookends Mendeley Papers EndNote RefWorks BibTex toolbar search Search Dropdown Menu toolbar search search input Search input auto suggest filter your search All ContentBy SocietyReviews in Mineralogy and Geochemistry Search Advanced Search Studies of bond lengths and angles and electron density distributions observed for earth materials and related molecules and those calculated with computational quantum chemical strategies have been a meeting place where experiment has engaged theory in advancing our understanding of bonded interactions. Not only have the calculations provided a physical basis for the proposal that the bond lengths and angles are governed in large part by short-ranged molecular-like forces, but they have also provided a connection between bond length, bond strength and the bond critical point properties of the electron density distributions. They have also provided a basis for Pauling's... You do not have access to this content, please speak to your institutional administrator if you feel you should have access.