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Eric D. Glendening, Clark R. Landis and Frank Weinhold NBO 6.0: Natural bond orbital analysis program Journal of Computational Chemistry 34

Version of Record online: 9 MAR 2013 | DOI: 10.1002/jcc.23266

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A new version of the natural bond orbital program (NBO 6.0) significantly expands the range of chemical applications through a new, link-free interface to host electronic structure systems, refined search algorithms, improved output labeling for exotic bonding motifs, and a broadened range of analysis options.

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