DID YOU KNOW? DTIC has over 3.5 million final reports on DoD funded research, development, test, and evaluation activities available to our registered users. Click
HERE to register or log in.
Accession Number:
ADA056688
Title:
Analogies Among Chemical Properties of Metal Surfaces, Organometallic Molecules, and Enzymes.
Corporate Author:
MASSACHUSETTS INST OF TECH CAMBRIDGE DEPT OF MATERIALS SCIENCE AND ENGINEERING
Report Date:
1978-07-14
Abstract:
In this paper, we point out a number of important similarities among the chemical e.g., catalytic properties of transition-metal surfaces, organo-metallic molecular complexes, and metalloenzymes, based on the electronic structures of such systems as calculated by the self-consistent-field X-alpha scattered-wave SCF-X sub alpha-SW molecular-orbital method. The concept of spin-orbital electronegativity is introduced as an approximate index of surface reactivity and catalytic activity as functions of composition, structure, and molecular environment. Author
Descriptive Note:
Interim rept.,
Supplementary Note:
Paper presented at International Summer Institute in Surface Science (3rd).
Pages:
0054
Contract Number:
N00014-75-C-0970
File Size:
4.91MB
