Infrared spectra and binding energies of chemical warfare nerve agent simulants on the surface of amorphous silica

Journal of Physical Chemistry C

Volumn 117, Issue 30, 2013, Pages 15685-15697

  Wilmsmeyer, Amanda R ^a   Gordon, Wesley O ^b   Davis, Erin Durke ^c   Troya, Diego ^a   Mantooth, Brent A ^b   Lalain, Teri A ^b   Morris, John R ^a  

^a VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

^b EDGEWOOD CHEMICAL BIOLOGICAL CENTER   (United States)

^c DCS CORPORATION   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPLETE BASIS SET LIMIT; DIISOPROPYL METHYLPHOSPHONATE; DIMETHYL METHYLPHOSPHONATE; ELECTRON-WITHDRAWING SUBSTITUENTS; ELECTRONIC STRUCTURE CALCULATIONS; HYDROGEN BONDING INTERACTIONS; METHYL DICHLOROPHOSPHATE; SOLUTE-SOLVENT INTERACTION;

ACTIVATION ENERGY; ADSORBATES; ADSORPTION; BINDING ENERGY; BOND STRENGTH (CHEMICAL); CHEMICAL WARFARE; ELECTRONIC STRUCTURE; ESTERS; HYDROGEN BONDS; INFRARED SPECTROSCOPY; PHASE INTERFACES; SILICA; THERMOMECHANICAL PULPING PROCESS;

TEMPERATURE PROGRAMMED DESORPTION;

EID: 84880563013     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp404265s     Document Type: Article

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