A critical evaluation of DFT, including time-dependent DFT, applied to bioinorganic chemistry-Reference-Cited by-同舟云学术

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A critical evaluation of DFT, including time-dependent DFT, applied to bioinorganic chemistry

Published:2006-07-05 Issue:6 Volume:11 Page:702-711
ISSN:0949-8257
Container-title:JBIC Journal of Biological Inorganic Chemistry
language:en
Short-container-title:J Biol Inorg Chem

Author:

Neese Frank

Publisher

Springer Science and Business Media LLC

Subject

Inorganic Chemistry,Biochemistry

Link

http://link.springer.com/content/pdf/10.1007/s00775-006-0138-1.pdf

Reference88 articles.

1. Ahlrichs R et al (2005) TurboMole 5.6. http://www.turbomole.de/

2. Baerends EJ, Ziegler T et al (2005) ADF. http://www.scm.com/News/ADF2005.html

3. Friesner R et al (2005) JAGUAR 6.0. http://www.schrodinger.com/Products/jaguar.html

4. Neese F (2005) ORCA 2.4.41. http://www.mpi-muelheim.mpg.de/bac/logins/downloads_en.php

5. Koch W, Holthausen MC (2000) A chemist’s guide to density functional theory. Wiley-VCH, Weinheim

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