Thioformyl cyanide, HC(S)CN, revisited: accurate rovibrational simulations for a molecule observed in interstellar clouds

Thioformyl cyanide, HC(S)CN, and its deuterated isotopologue have been studied by high-level ab initio methods. Based on multidimensional potential energy surfaces including up to four-mode coupling terms and obtained from explicitly correlated coupled-cluster calculations, their geometrical parameters, vibrational transitions, rovibrational spectrum and spectroscopic constants have been studied in detail. The latter two properties, being obtained from vibrational configuration interaction theory (VCI) and vibrational perturbation theory (VPT), have been compared with available experimental data. The rotational and rovibrational spectra have been studied by rovibrational configuration interaction theory (RVCI) and colour coding has been used to obtain detailed insight into the rotational fine structure.</p

Percentage of antibiotic resistance and association with year among under 5 children with shigellosis from 2001–2020 in urban site (Dhaka hospital).

Percentage of antibiotic resistance and association with year among under 5 children with shigellosis from 2001–2020 in urban site (Dhaka hospital).</p

Percentage of isolates tested for recommended antibiotics for shigellosis.

Percentage of isolates tested for recommended antibiotics for shigellosis.</p

Percentage of azithromycin resistance in shigellosis, 2001–2020.

Percentage of azithromycin resistance in shigellosis, 2001–2020.</p

Percentage of ciprofloxacin resistance in shigellosis, 2001–2020.

Percentage of ciprofloxacin resistance in shigellosis, 2001–2020.</p

Percentage of different Shigella species in under 5 children in the urban site and rural site in last 20 years.

Percentage of different Shigella species in under 5 children in the urban site and rural site in last 20 years.</p

Multiple antibiotic resistance (WHO recommended antibiotics) among under 5 children with shigellosis from 2001–2020.

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Percentage of mecillinam resistance in shigellosis, 2001–2020.

Percentage of mecillinam resistance in shigellosis, 2001–2020.</p

Trend of different <i>Shigella</i> species over the last 20 years in urban and rural sites.

Trend of different Shigella species over the last 20 years in urban and rural sites.</p

Percentage of antibiotic resistance and association with year among under 5 children with shigellosis from 2001–2020 in rural site (Matlab hospital).

Percentage of antibiotic resistance and association with year among under 5 children with shigellosis from 2001–2020 in rural site (Matlab hospital).</p