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Can I read Extension of SINDO1 to transition metal compounds on EtoBox?
Extension of SINDO1 to transition metal compounds by Jian Li; Paulo Correa De Mello; Karl Jug is a Chemistry article available to read on EtoBox.
What is Extension of SINDO1 to transition metal compounds about?
The semiempirical MO method SINDO1, originally suitable for first-and second-row atoms, is extended to transition metals from scandium to zinc. The core Hamiltonian elements in a symmetrically orthogonalized atomic orbital (OAO) basis set are modified and the parameters are optimized to reproduce the experimental geometries, heats of formation, and ionization potentials. An application of the method to a selected number of molecules, as well as a comparison between calculated and experimental data is reported.
Who reads Extension of SINDO1 to transition metal compounds?
It is typically read by researchers, students, and practitioners in Chemistry.
- Author
- Jian Li; Paulo Correa De Mello; Karl Jug
- Publisher
- John Wiley and Sons; Wiley (John Wiley & Sons); John Wiley & Sons Inc.; Wiley (ISSN 0192-8651)
- Published
- 1992
- Language
- EN
- Field
- Chemistry (Physical Sciences)
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