Molecular dynamics computer simulations of the effects of hydrogen bonding on the properties of layered double hydroxides intercalated with organic acids

Philosophical Magazine

Volumn 90, Issue 17-18, 2010, Pages 2475-2488

  Kalinichev, Andrey G ^a   Padma Kumar, P ^b   James Kirkpatrick, R ^c  

^a MICHIGAN STATE UNIVERSITY   (United States)

^b INDIAN INSTITUTE OF TECHNOLOGY GUWAHATI   (India)

^c MICHIGAN STATE UNIVERSITY   (United States)

Author keywords

Hydrogen bonding; Layered double hydroxides; Molecular dynamics

Indexed keywords

AMINO GROUP; ANION EXCHANGE; BOND ACCEPTORS; CARBOXYLATE GROUPS; CARBOXYLIC GROUP; CHARGED SPECIES; DNA FRAGMENT; H-BONDING; H-BONDS; HYDROGEN BONDINGS; INTEGRATED HYDROGEN; KINETIC ASPECTS; LAYERED DOUBLE HYDROXIDES; MD SIMULATION; MOLECULAR DYNAMICS COMPUTER SIMULATIONS; MOLECULAR LEVELS; NMR AND X-RAY; OH-GROUPS; ORGANIC ANIONS; ORGANIC SPECIES; PH VALUE; PROPANOATE; PROTONATED AMINE; STRUCTURAL RESTRICTIONS; SWELLING BEHAVIOUR; WATER MOLECULE;

AMINO ACIDS; CARBOXYLATION; COMPUTATIONAL METHODS; COMPUTER SIMULATION; DYNAMICS; HYDRATES; HYDRATION; HYDROGEN; MOLECULAR DYNAMICS; MOLECULES; NANOCOMPOSITES; NEGATIVE IONS; ORGANIC ACIDS; OXIDES; SILICATES; SURFACES; X RAY DIFFRACTION;

HYDROGEN BONDS;

EID: 77953014211     PISSN: 14786435     EISSN: 14786443     Source Type: Journal    
DOI: 10.1080/14786430903559482     Document Type: Conference Paper

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