Kalinichev, Andrey G., Kirkpatrick, R. James, Cygan, Randall T. (2000) Molecular modeling of the structure and dynamics of the interlayer and surface species of mixed-metal layered hydroxides: Chloride and water in hydrocalumite (Friedel’s salt) American Mineralogist, 85 (7) 1046-1052 doi:10.2138/am-2000-0720

Library Home Bookshelves View by Type Using Search

Books Catalogs/Sales Lists Journals Reports Thesis/Dissertation

Search for Books Search for Journals Manage Subjects Statistics Books without DDC/LCC Top Unstructured Orphaned Articles

Bookshelves (DDC layout)Bookshelves (LCC layout)Latest Books

Advanced

Search inside 'American ...' only

- Only viewable:

Reference Type	Journal (article/letter/editorial)
Title	Molecular modeling of the structure and dynamics of the interlayer and surface species of mixed-metal layered hydroxides: Chloride and water in hydrocalumite (Friedel’s salt)
Journal	American Mineralogist
Authors	Kalinichev, Andrey G.		Author
	Kirkpatrick, R. James		Author
	Cygan, Randall T.		Author
Year	2000 (July)	Volume	85
Issue	7
Publisher	Mineralogical Society of America
DOI	doi:10.2138/am-2000-0720Search in ResearchGate
	Generate Citation Formats
Mindat Ref. ID	394258	Long-form Identifier	mindat:1:5:394258:5
GUID	0
Full Reference	Kalinichev, Andrey G., Kirkpatrick, R. James, Cygan, Randall T. (2000) Molecular modeling of the structure and dynamics of the interlayer and surface species of mixed-metal layered hydroxides: Chloride and water in hydrocalumite (Friedel’s salt) American Mineralogist, 85 (7) 1046-1052 doi:10.2138/am-2000-0720
Plain Text	Kalinichev, Andrey G., Kirkpatrick, R. James, Cygan, Randall T. (2000) Molecular modeling of the structure and dynamics of the interlayer and surface species of mixed-metal layered hydroxides: Chloride and water in hydrocalumite (Friedel’s salt) American Mineralogist, 85 (7) 1046-1052 doi:10.2138/am-2000-0720
In	(2000, July) American Mineralogist Vol. 85 (7) Mineralogical Society of America

	Kirkpatrick, R. James, Yu, Ping, Hou, Xiaoqiang, Kim, Yeongkyoo (1999) Interlayer structure, anion dynamics, and phase transitions in mixed-metal layered hydroxides; variable temperature35Cl NMR spectroscopy of hydrotalcite and Ca-aluminate hydrate (hydrocalumite) American Mineralogist, 84 (7) 1186-1190 doi:10.2138/am-1999-7-823
	Wang, Jianwei, Kalinichev, Andrey G., Amonette, James E., Kirkpatrick, R. James (2003) Interlayer structure and dynamics of Cl-bearing hydrotalcite: far infrared spectroscopy and molecular dynamics modeling. American Mineralogist, 88 (2) 398-409 doi:10.2138/am-2003-2-316
	Wang, Jianwei, Kalinichev, Andrey G., Kirkpatrick, R. James, Cygan, Randall T. (2005) Structure, Energetics, and Dynamics of Water Adsorbed on the Muscovite (001) Surface: A Molecular Dynamics Simulation. The Journal of Physical Chemistry B, 109 (33). 15893-15905 doi:10.1021/jp045299c
	Kirkpatrick, R. James, Kalinichev, Andrey G., Bowers, Geoffrey M., Yazaydin, A. Özgür, Krishnan, Marimuthu, Saharay, Moumita, Morrow, Christin P. (2015) NMR and computational molecular modeling studies of mineral surfaces and interlayer galleries: A review. American Mineralogist, 100 (7) 1341-1354 doi:10.2138/am-2015-5141
	Hou, , Kalinichev, Andrey G., Kirkpatrick, R. James (2002) Interlayer Structure and Dynamics of Cl-−LiAl2-Layered Double Hydroxide: 35Cl NMR Observations and Molecular Dynamics Modeling. Chemistry of Materials, 14. 2078-2085 doi:10.1021/cm010745j
	Hou, Xiaoqiang, Bish, David L., Wang, Shan-Li, Johnston, Cliff T., Kirkpatrick, R. James (2003) Hydration, expansion, structure, and dynamics of layered double hydroxides. American Mineralogist, 88 (1) 167-179 doi:10.2138/am-2003-0120
	Hou, Xiaoqiang, Kirkpatrick, R. James, Yu, Ping, Moore, Duane, Kim, Yeongkyoo (2000) 15N NMR study of nitrate ion structure and dynamics in hydrotalcite-like compounds. American Mineralogist, 85 (1) 173-180 doi:10.2138/am-2000-0116
	Fisler, Diana K., Gale, Julian D., Cygan, Randall T. (2000) A shell model for the simulation of rhombohedral carbonate minerals and their point defects. American Mineralogist, 85 (1) 217-224 doi:10.2138/am-2000-0121
	Kumar, P. Padma, Kalinichev, Andrey G., Kirkpatrick, R. James (2007) Molecular Dynamics Simulation of the Energetics and Structure of Layered Double Hydroxides Intercalated with Carboxylic Acids. The Journal of Physical Chemistry C, 111 (36). 13517-13523 doi:10.1021/jp0732054
	Padma Kumar, P., Kalinichev, Andrey G., Kirkpatrick, R. James (2006) Hydration, Swelling, Interlayer Structure, and Hydrogen Bonding in Organolayered Double Hydroxides: Insights from Molecular Dynamics Simulation of Citrate-Intercalated Hydrotalcite. The Journal of Physical Chemistry B, 110 (9). 3841-3844 doi:10.1021/jp057069j
	Wang, Jianwei, Kalinichev, Andrey G., Kirkpatrick, R. James (2006) Effects of substrate structure and composition on the structure, dynamics, and energetics of water at mineral surfaces: A molecular dynamics modeling study. Geochimica et Cosmochimica Acta, 70 (3) 562-582 doi:10.1016/j.gca.2005.10.006

Mindat.org is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2025, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: August 15, 2025 21:52:56

Go to top of page

See Also