A theoretical procedure to determine interaction energies in complex systems: application to the oxygen–iron tetraazaporphyrin interaction
✍ Scribed by M.J. Aguirre; G.I. Cárdenas-Jirón; A. Toro-Labbé; J.H. Zagal
- Book ID
- 114143793
- Publisher
- Elsevier Science
- Year
- 1999
- Tongue
- English
- Weight
- 154 KB
- Volume
- 493
- Category
- Article
- ISSN
- 0166-1280
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## Abstract A procedure is given to derive an explicit charge‐transfer contribution from the Murrell–Randic–Williams formula, and to implement it in the framework of an additive procedure for the computation of intermolecular interaction energies, as a sum of electrostatic, repulsion, polarization,
Chemiluminescent molecules can be readily detected in the range 10(-15) to 10(-18) mol, and potentially at least down to 10(-20) mol reacting/s. The chemiluminescent compound aminobutylethylisoluminol (ABEI) and its isothiocyanate derivative have been synthesized. The ABEI was coupled to rabbit immu