Výsledky vyhledávání - "Saraswathi Muniyandi"

N/O→B dative bonds supplemented by N-HN/HC hydrogen bonds make BN-cages an attractive candidate for DNA-nucleobase adsorption - an MP2 prediction

Autor: Saraswathi Muniyandi, Rajashabala Sundaram, Ajit K. Roy, Tapas Kar

Publikováno v: Physical chemistry chemical physics : PCCP. 24(27)

MP2/6-311+G** geometries and adsorption energies (Eads) of the nano-bio-hybrid B12N12-adenine/guanine/cytosine/thymine systems. Hydrogen bonds (HB) in each structure are marked in green color.

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6f18ec7d1c562b965b7acf6e22700d5e
https://pubmed.ncbi.nlm.nih.gov/35789353

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A comparison study on the sensing ability of C20/B12N12 nanocage towards beryllium hydride cluster and beryllium hydride molecules using density functional theory (DFT)

Autor: Saraswathi Muniyandi, Rajashabala Sundaram, Tapas Kar

Publikováno v: Materials Today Communications. 35:105813

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::90c02d1275e8977849b1002556b9d716
https://doi.org/10.1016/j.mtcomm.2023.105813

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Aluminum doping makes boron nitride nanotubes (BNNTs) an attractive adsorbent of hydrazine (N2H4)

Autor: Saraswathi Muniyandi, Tapas Kar, Rajashabala Sundaram

Publikováno v: Structural Chemistry. 29:375-382

Adsorption of toxic hydrazine (N2H4) at the surface of pristine and Al-doped single-wall boron nitride nanotubes (BNNTs and Al-BNNTs) has been investigated using density functional theory (DFT). Single hydrazine molecule was allowed to interact with

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::b0f8d29efec0c3e123de6a18f9dfa2fc
https://doi.org/10.1007/s11224-017-1034-8

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