Zobrazeno 1 - 10
of 101
pro vyhledávání: '"Y. Sajeev"'
Autor:
Y. Sajeev
Publikováno v:
Communications Chemistry, Vol 6, Iss 1, Pp 1-9 (2023)
Abstract The early Earth, devoid of the protective stratospheric ozone layer, must have sustained an ambient prebiotic physicochemical medium intensified by the co-existence of shortwave UV photons and very low energy electrons (vLEEs). Consequently,
Externí odkaz:
https://doaj.org/article/98146fe8d94743ecaeaa0009eb982759
Autor:
Y. Sajeev
Publikováno v:
AIP Advances, Vol 5, Iss 8, Pp 087140-087140-11 (2015)
The equation-of-motion coupled cluster (EOMCC) method based on the excited state Hartree-Fock (ESHF) solutions is shown to be appropriate for computing the entire ground state potential energy curves of strongly correlated higher-order bonds. The new
Externí odkaz:
https://doaj.org/article/2c118e0517904b3381996f69a99f3b7d
Autor:
Behera, Nihar Ranjan, Barik, Saroj, Dutta, Saurav, Kushawaha, Rajesh Kumar, Y, Sajeev, G, Aravind
Publikováno v:
Journal of Physical Chemistry A; 10/24/2024, Vol. 128 Issue 42, p9235-9239, 5p
Autor:
Saroj Barik, Saurav Dutta, Nihar Ranjan Behera, Rajesh Kumar Kushawaha, Y. Sajeev, G. Aravind
Publikováno v:
Nature Chemistry. 14:1098-1102
Intermolecular Coulombic decay (ICD) is a process whereby photoexcited molecules relax by ionizing their neighbouring molecules. ICD is efficient when intermolecular interactions are active and consequently it is observed only in weakly bound systems
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a7cd8f9a216af3982008a12d46654526
https://doi.org/10.1038/s41557-022-01002-2
https://doi.org/10.1038/s41557-022-01002-2
Akademický článek
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Autor:
Y. Sajeev
Publikováno v:
Molecular Physics. 117:2162-2166
State-specific reaction dynamics induced through the resonant attachment of a low energy electron (LEE) offers hitherto unavailable opportunities for the chemical synthesis of theoretically possible chemical structures. Using ab initio quantum chemic
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7ec1f2a08e27a8bc839dab65d18dea75
https://doi.org/10.1080/00268976.2019.1607599
https://doi.org/10.1080/00268976.2019.1607599
Publikováno v:
The journal of physical chemistry. A. 124(50)
The negative ion resonance states, which are electron-molecule metastable compound states, play the most important role in free-electron controlled molecular reactions and low-energy free-electron-induced DNA damage. Their electronic structure is oft
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::adadc65c7e382ff06190029eabd295df
https://pubmed.ncbi.nlm.nih.gov/33327725
https://pubmed.ncbi.nlm.nih.gov/33327725
Publikováno v:
Journal of chemical theory and computation. 16(8)
Negative-ion resonances are important metastable states that result from the collision between an electron and a neutral target. The course of many chemical processes in nature is often dictated by how an intermediate resonance state falls apart. Thi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d69dd1ff7b822fe1202d4bf96ee0ecf6
https://pubmed.ncbi.nlm.nih.gov/32568537
https://pubmed.ncbi.nlm.nih.gov/32568537
Publikováno v:
The Journal of Physical Chemistry Letters. 9:6973-6977
The current understanding of photoenzyme-catalyzed [2 + 2] cycloreversion repair of cyclobutane pyrimidine dimer (CPD) is that a photogenerated electron from the photolyase enzyme catalyzes the repair. This one-electron catalyzed repair is a sequenti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4cee891b88c8d7f8905850b102ff6b14
https://doi.org/10.1021/acs.jpclett.8b03256
https://doi.org/10.1021/acs.jpclett.8b03256
Autor:
Daly Davis, Y. Sajeev
Publikováno v:
Physical Chemistry Chemical Physics. 20:6040-6044
Remarkable site-specificity in the resonant attachment of low energy electrons (LEEs) to molecular targets is proposed as an efficient method for inducing chemical reactivity on specific sites of molecules. The Coulomb interaction between the attache
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1d6764d1e55557a506f47464355862e6
https://doi.org/10.1039/c7cp08496j
https://doi.org/10.1039/c7cp08496j