Syntactic-Semantic Detection of Clone-Caused Vulnerabilities in the IoT Devices.

This paper addresses the problem of IoT security caused by code cloning when developing a massive variety of different smart devices. A clone detection method is proposed to identify clone-caused vulnerabilities in IoT software. A hybrid solution combines syntactic and semantic analyses of the code.

Maintaining Cyber Resilience in the Reconfigurable Networks with Immunization and Improved Network Game Methods.

The paper proposes a technique for protecting reconfigurable networks that implements topology rebuilding, which combines immunization and network gaming methods, as a solution for maintaining cyber resilience. Immunization presumes an adaptive set of protective reconfigurations destined to ensure the functioning of a network. It is a protective reconfiguration aimed to preserve/increase the functional quality of the system.

Harmonic Scale Factors of Fundamental Transitions for Dispersion-corrected Quantum Chemical Methods.

This work provides a procedure and database for obtaining the vibrational frequency scale factors that align quantum chemically computed harmonic frequencies with experimental vibrational spectroscopic data. The database comprises 441 molecules of various sizes, from diatomics to the buckminsterfullerene C. We provide scale factors for 27 dispersion-corrected methods, 24 of which are DF-Dn/B with DF=BLYP, PBE, B3LYP, PBE0, Dn=D3(BJ), D4, and B=6-31G, def2-SVP, def2-TZVP, and three of them are the 3c-family composite methods (HF-3c, PBEh-3c, and rSCAN-3c).

From a humorous post to a detailed quantum-chemical study: isocyanate synthesis revisited.

Isocyanates play an essential role in modern manufacturing processes, especially in polyurethane production. There are numerous synthesis strategies for isocyanates both under industrial and laboratory conditions, which do not prevent searching for alternative highly efficient synthetic protocols. Here, we report a detailed theoretical investigation of the mechanism of sulfur dioxide-catalyzed rearrangement of phenylnitrile oxide into phenyl isocyanate, which was first reported in 1977.