Density functional theory calculations of TNT and its interaction with the siloxane site of clay minerals

Proceedings of SPIE - The International Society for Optical Engineering

Volumn 5415, Issue PART 2, 2004, Pages 1367-1376

  Alzate, Liliana F ^a   Colon, Yleana M ^a   Ramos, Carmen M ^a   Santana, Alberto ^a   Hernández, Samuel P ^a   Castro, Miguel E ^a   Briano, Julio G ^a   Mina, Nairmen ^a  

^a UNIVERSITY OF PUERTO RICO   (Puerto Rico)

Author keywords

Binding energy; Clay minerals; DFT; Kaolinite; Siloxane; TNT; TNT soil interactions

Indexed keywords

KAOLINITE; SILOXANE; TNT-SOIL INTERACTIONS; TRINITROTOLUENE (TNT);

ADSORPTION; BINDING ENERGY; CLAY MINERALS; CONTAMINATION; GROUNDWATER; MOLECULAR STRUCTURE; PROBABILITY DENSITY FUNCTION; SOILS; VIBRATION CONTROL;

TOLUENE;

EID: 10044234246     PISSN: 0277786X     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1117/12.541714     Document Type: Conference Paper

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