GenNbo Helper 1.0

Gennbo Helper is Java-based application which helps with NBO keylists/keywords and formats them for input into standalone GenNbo program. It offers offers a simple way of generating: - Keylists and the corresponding keywords for standalone program GenNBO5/6 (processing of existing archive files (FILE47)) - Keylists and the corresponding keywords for ESS-linked or "embedded" NBO modules - Input files with nbo keywords for two ESS/NBO programs, namely Gaussian09 and PC-GAMESS/Firefly Visit http://nbo.marcelpatek.com for other apps and links. Blog entries are at http://chemgplus.blogspot.com/

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2013/07/26 Org Med Chem   Share on Facebook

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