Accurate calculation of C1s core electron binding energies of some carbon hydrates and substituted benzenes
✍ Scribed by Yuji Takahata; Alberto dos Santos Marques; Rogério Custodio
- Book ID
- 108286123
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 198 KB
- Volume
- 959
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
📜 SIMILAR VOLUMES
Binding energy shiffts spanning a range of 9 eV for carbon 1s electrons in twenty different environments have been correlated wivith the properly calculated average potential at the carbon nucleus due to the ocher nuclei (with nuclear charges appropriately reduced by their core electro\_m) and the v
A scaling procedure based on Clementi and Raimoodi's rules for atomic screening was proposed for atomic orbital basis sets in the unrestricted generalized transition state (uGTS) model of density functional calculation of core-electron binding energies (CEBEs). The exchange-correlation potential is