Mikhail Akhukov

Mikhail Akhukov

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Mikhail Akhukov

Kintech Lab, 12 3rd Khoroshevskaya Str., Moscow 123298, Russia

Research Focus & Metrics

Academic Career Length

9Years (2018-Present)

(Calculated once Scilit publication data is synced: current year − year of first publication + 1)

Representative Publications

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1 December 2018 in Data in Brief
Verified
Journal Article
Open access
STSergey Trepalin
Sergey Trepalin
SGSasha Gurke
Sasha Gurke
MAMikhail Akhukov
Mikhail Akhukov
AKAndrey Knizhnik
Andrey Knizhnik
BPBoris Potapkin
Boris Potapkin
Two new features are added to existing algorithms for kekulization of chemical structures, i.e., handling of triple and cumulene bonds in cycles and use of random atom sorting to remove unmatched atoms. Handling of triple and cumulene bonds enables kekulization of graphynes and graphdiynes. Random sorting speeds up the calculation time, i.e., kekulization of large chemical structures containing about 107 atoms takes ≤1 min on a typical PC. Source codes (Pascal, GNU GPL license) are included as a compiled application (Windows 64). Calculation times and unmatched atom statistics are provided for graphenes, graphynes, nanotubes, graphyne nanotubes and fullerenes. Benchmark comparisons are made for some data.