Corrigendum to “Theory after experiment on sensing mechanism of a newly developed sensor molecule: Converging or diverging?” [Chem. Phys. Lett. 689 (2017) 199–205]

Hydrogen bond directed high-fidelity optical detection of picric acid: A single driver on diverse roads towards the same destiny

“…Based on these facts, we already reported the crucial role played by H-bonding in different sensing aspects of some important analytes experimentally as well as computationally. [51][52][53][54] The derivatives of benzimidazole, carbazole, coumarin, pyrene, rhodamine, fluorescein, cyanine, Schiff bases, ureas, thioureas, amides, sulphonamides, etc. are the most commonly employed binding motifs based on HBs.…”

Sequence‐Specific Relay Recognition of Multiple Anions: An Interplay between Proton Donors and Acceptors

“…Simulated IR spectral analysis was already established as a crucial tool to explore anion binding mechanisms [31–32] . We computed and presented the simulated IR spectra of HSO 4 − ion, 1 , 1 – 2 HSO 4 − complex, 1 – 2 H + complex, and 1 – 2 H + ‐2F − complex and the O−H/N−H stretching frequencies were highlighted in Figure 8.…”

“…There are several ways to calculate the excitation energies theoretically. The easiest and most effective way is to calculate the energy gap (Δ E ) between the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) as it plays a very important role in molecular electrical transport properties, chemical stability, electron, and proton transfer analysis [30–33] …”

“…Then, the theoretical IR and NMR spectra were computed. For more details of the computational methodology, readers could follow somewhere else [31–32] …”