Binding energies, molecular structures, and vibrational frequencies of transition metal carbonyls using density functional theory with gradient corrections-Reference-Cited by-同舟云学术

Binding energies, molecular structures, and vibrational frequencies of transition metal carbonyls using density functional theory with gradient corrections

Published:1994-04-15 Issue:8 Volume:100 Page:5785-5791
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Delley Bernard,Wrinn Michael,Lüthi Hans Peter

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.467142

Reference48 articles.

1. An investigation of correlation effects in transition-metal sandwich complexes. Hartree-Fock studies on a series of metallocenes

2. Accurate Quantum Chemical Calculations

3. A modified coupled pair functional approach

4. A fifth-order perturbation comparison of electron correlation theories

5. Structure and energetics of Cr(CO)6and Cr(CO)5

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