Global molecular identification from graphs. Main-group triatomic molecules

Croatica Chemica Acta

Volumn 75, Issue 2, 2002, Pages 383-400

  Geach, Jonathan ^a   Walters, Chris J ^a   James, Bryan ^a   Caviness, Ken E ^a   Hefferlin, Ray A ^a  

^a SOUTHERN ADVENTIST UNIVERSITY   (United States)

Author keywords

Bonding data prediction; Chemical space; Closed shell molecules; Data mining; Education; Graphs; Lewis diagrams; Octet rule; Periodic systems of molecules; Stoichiometric molecules

Indexed keywords

EID: 0042872975     PISSN: 00111643     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

References (16)

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15. R. Hefferlin, J. Mol. Struct. (THEOCHEM) 505 (2000) 71-86. There are several errors in Section 5.5: (a) Pg. 79, left, line 8 should read »three double-octets«; (b) Eqs. (6), second equation, »= 8«; (c) six and five lines above Eq. (9), »the plane... « should read »a plane parallel to those described earlier«; (d) three lines above Eq. (9), »Acyclic« should read »Linear or bent«; and (e) three lines above Eq. (11), »There are kite-shaped species such as COOO and... «.
16. B. James, K. E. Caviness, J. Geach, C. W. Walters, and R. Hefferlin, J. Chem. Inf. Comp. Sci. 42 (2002) 1-7.