Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Jishnu Narayanan S J"'
Publikováno v:
ACS Omega. 8:10669-10689
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::653da162808033ae5804808f9444a907
https://doi.org/10.1021/acsomega.2c06776
https://doi.org/10.1021/acsomega.2c06776
Publikováno v:
The Journal of Physical Chemistry A. 127:2215-2227
We have studied the effect of amino acids on electron attachment properties of DNA nucleobases, taking cytosine as a model system. The equation of motion coupled cluster theory with an extended basis set has been used to simulate the electron-attache
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3f76e3c3ec04266ee7fc83e4076a06b0
https://doi.org/10.1021/acs.jpca.2c06624
https://doi.org/10.1021/acs.jpca.2c06624
Publikováno v:
Dalton Transactions. 52:3378-3385
The aromatic five-membered N-heterocyclic beryllium compounds (NHBe), BeN2C2H4 and BeN2(CH3)2C2H2 having σ-hole at the beryllium centre show ambiphilic reactivity.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9e0ca9d5793fbc6bcd4f0a44499f564b
https://doi.org/10.1039/d2dt03263e
https://doi.org/10.1039/d2dt03263e
We have analyzed the low-energy electron attachment to wobble base pairs using the equation motion coupled cluster method and extended basis sets. A doorway mechanism exists for the attachment of the additional electron to the base pairs, where the i
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::50d8aed2fb898154622899b98b6642b6
http://arxiv.org/abs/2210.07965
http://arxiv.org/abs/2210.07965
Publikováno v:
The journal of physical chemistry letters. 12(42)
We report a new doorway mechanism for the dissociative electron attachment to genetic materials. The dipole-bound state of the nucleotide anion acts as the doorway for electron capture in the genetic material. The electron gets subsequently transferr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::031e0e28833fc3253c8c9c2ad05529fc
https://pubmed.ncbi.nlm.nih.gov/34669407
https://pubmed.ncbi.nlm.nih.gov/34669407