Zobrazeno 1 - 10
of 45
pro vyhledávání: '"Sanyasi Sitha"'
Autor:
Sanyasi Sitha
Publikováno v:
Physical chemistry chemical physics : PCCP. 24(21)
To be planar or to be twisted at the bridge junctions in biphenyls or biaryl types of molecular systems depends on two conflicting forces: (1) steric repulsions (destabilizations) and (2) conjugation assisted electron delocalizations (resonance stabi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c6c3b3afaa62191e20fb9ed63e9af25d
https://pubmed.ncbi.nlm.nih.gov/35588239
https://pubmed.ncbi.nlm.nih.gov/35588239
Publikováno v:
The Journal of Physical Chemistry A. 124:165-175
Formamide (NH2CHO), being the smallest and fundamental building block of life (with a peptide linkage), has recently been able to attract much interests, in the field of astrochemistry, astrophysic...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5ff17c979d7d9007fa801e0b53f2b5df
https://doi.org/10.1021/acs.jpca.9b09924
https://doi.org/10.1021/acs.jpca.9b09924
Autor:
Sanyasi Sitha, Nagasuneetha Darla
Publikováno v:
The Journal of Physical Chemistry A. 123:8921-8931
Formamide (NH2CHO) is the smallest molecular unit that contains the basic peptide linkage and thus has recently attracted a great amount of interest in the field of astrochemistry. In this work usi...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::43d2b308b387b48b9d30d43845a2d297
https://doi.org/10.1021/acs.jpca.9b07255
https://doi.org/10.1021/acs.jpca.9b07255
Publikováno v:
Theoretical Chemistry Accounts. 140
Interstellar formations and significances of formamide as a possible prebiotic precursor, for many complex organic molecules of life are well studied in recent times. In this work, computational studies (B3LYP, wB97xD, MP2, and CCSD(T)) have been car
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::87d6f4348ce4531c1f213a3225ed84ae
https://doi.org/10.1007/s00214-021-02750-z
https://doi.org/10.1007/s00214-021-02750-z
Publikováno v:
Computational and Theoretical Chemistry. 1209:113583
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bc25eab76c9a9e46abe2c9a194eacfc7
https://doi.org/10.1016/j.comptc.2021.113583
https://doi.org/10.1016/j.comptc.2021.113583
Publikováno v:
Computational and Theoretical Chemistry. 1207:113522
Push-pull types Donor-Bridge-Acceptor (D-B-A) organic molecules have been reported as efficient functional materials for various technological applications. Often their interesting properties were reported to be directly linked to their nature of int
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a459daaafed2cf928ddaf0ac9d4251e9
https://doi.org/10.1016/j.comptc.2021.113522
https://doi.org/10.1016/j.comptc.2021.113522
Autor:
Sanyasi Sitha
Publikováno v:
Computational and Theoretical Chemistry. 1205:113456
Noncovalent Tetrel bonding is studied in the past mainly as a cohesive force for synthons, and less for transitions states (TS). Same is also true for non-covalently bonded spectator effects. This work brings the Tetrel bonding through spectator wate
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1fb04f5e82aa72c99b6ec5c8d6976721
https://doi.org/10.1016/j.comptc.2021.113456
https://doi.org/10.1016/j.comptc.2021.113456
Autor:
Sanyasi Sitha
Publikováno v:
Computational and Theoretical Chemistry. 1205:113446
Life is chiral and chirality of life is single-handedness. While ubiquity of homochirality is the signature of nature, its’ origin is still existing as a question of unresolved mysteries. All the earlier hypotheses on homochirality advocate for wea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7b1131b37791177f4258a39e5ad60e85
https://doi.org/10.1016/j.comptc.2021.113446
https://doi.org/10.1016/j.comptc.2021.113446
Publikováno v:
Chemical Physics. 493:20-31
Nitrogen content of the interstellar regions is undergoing a re-evaluation based on some recent comet data and some excellent researches in this area. Finding of secondary channels for the formation of N2 will definitely have significant effect in ac
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d7f86361f841ac536e8986211bcbd462
https://doi.org/10.1016/j.chemphys.2017.06.001
https://doi.org/10.1016/j.chemphys.2017.06.001
Publikováno v:
The journal of physical chemistry. A. 124(1)
Formamide (NH
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::20651af79811a066b8bdc7b1b131eae1
https://pubmed.ncbi.nlm.nih.gov/31820987
https://pubmed.ncbi.nlm.nih.gov/31820987