Binding of small molecules to a silica surface: Comparing experimental and theoretical results

Journal of Physical Chemistry C

Volumn 115, Issue 50, 2011, Pages 24734-24742

  Taylor, Decarlos E ^a   Runge, Keith ^b   Cory, Marshall G ^c   Burns, Douglas S ^c   Vasey, Joseph L ^c   Hearn, John D ^d   Henley, Michael V ^d  

^a U S ARMY RESEARCH LABORATORY   (United States)

^b BWD Associates LLC   (United States)

^c ENSCO INC   (United States)

^d AIR FORCE RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENTHALPIES; EXPERIMENTAL VERIFICATION; INVERSE GAS CHROMATOGRAPHY; MOLECULAR DYNAMICS CALCULATION; MOLECULE SURFACE; MULTISCALE METHOD; PHYSICAL PROCESS; PREDICTIVE MODELS; PROBE MOLECULES; QUANTUM CHEMICAL; SILANOLS; SILICA SURFACE; SMALL MOLECULES; SPECTRAL SHIFT; THEORETICAL RESULT;

ADSORPTION; EXPERIMENTS; GAS CHROMATOGRAPHY; MOLECULAR DYNAMICS; NITRIC OXIDE; PROBES; QUANTUM CHEMISTRY; SILICA;

MOLECULES;

EID: 84857259247     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp205479v     Document Type: Article

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