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Amsterdam Density Functional 2005.

The article reviews the software Amsterdam Density Functional (ADF) 2005, an electronic structure package primarily developed by chemistry groups in Amsterdam. The program allows calculation of ground- and excited-state energies, as well as harmonic vibrational frequencies, optimized structures, and...

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Publicado en:Journal of the American Chemical Society Vol. 128; no. 9; pp. 3103 - 3104
Autor principal: Bomble, Yannick J.
Formato: Product Review
Publicado: American Chemical Society 3/8/2006
Materias:
Computer software
Research teams
Electronic structure
Amsterdam (Netherlands)
Netherlands
Acceso en línea:Ver este registro en EBSCOhost
Sumario:The article reviews the software Amsterdam Density Functional (ADF) 2005, an electronic structure package primarily developed by chemistry groups in Amsterdam. The program allows calculation of ground- and excited-state energies, as well as harmonic vibrational frequencies, optimized structures, and even molecular properties such as nuclear magnetic resonance (NMR) spin coupling or NMR spin-spin coupling.