Brief Records : EPA National Library Catalog

Items Found: 1

Showing Items: 1 - 1

Your Search: (SUBJECT=DFT Density functional theory)

OLS Field Name OLS Field Data
Full Record Document Number: 1
Main Title Theoretical Investigation into the Potential of Halogenated Methanes to Undergo Reductive Metabolism.
Author Waller, C. L. ; McKinney, J. D. ;
CORP Author Health Effects Research Lab., Research Triangle Park, NC. Pharmacokinetics Branch.
Publisher cDec 93
Year Published 1993
Report Number EPA/600/J-94/327;
Stock Number PB94-197092
Additional Subjects Halohydrocarbons ; Methane ; Redox potential ; Quantum chemistry ; Reprints ; Metabolism ; Electrochemistry ; Molecular orbitals ; Computer software ; Electron density(Concentration) ; Affinity ; Anaerobic conditions ; Computation ; Toxic substances ; Toxicity ; Health hazards ; DMol computer program ; DFT(Density-functional theory) ; Density-functional theory ; Reduction potentials
Library Call Number Additional Info Location Last
NTIS  PB94-197092 Most EPA libraries have a fiche copy filed under the call number shown. Check with individual libraries about paper copy. 11/11/1994
Collation 7p