Zobrazeno 1 - 10
of 135
pro vyhledávání: '"Boris Galabov"'
Autor:
Boris Galabov, Sonia Ilieva, Diana Cheshmedzhieva, Valya Nikolova, Vassil A. Popov, Boriana Hadjieva, Henry F. Schaefer
Publikováno v:
ACS Omega, Vol 7, Iss 10, Pp 8199-8208 (2022)
Externí odkaz:
https://doaj.org/article/4cd09410d3b54f5dad6d6e8267db592e
Autor:
Valya Nikolova, Boris Galabov
Publikováno v:
Macedonian Journal of Chemistry and Chemical Engineering, Vol 34, Iss 1, Pp 159-167 (2015)
Abstract: The hydrogen bonding between substituted adenines and thymine was investigated by density functional theory computations at the B3LYP/6-311+G(2d,2p) level. The effect of 20 different polar substituents at position 8 in adenine was examined
Externí odkaz:
https://doaj.org/article/2df6581efc6148b0856611aabb9a4e8c
Publikováno v:
Inorganica Chimica Acta. 551:121454
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6e5a5b78ffe83f841f9a6fcb00c591c0
https://doi.org/10.1016/j.ica.2023.121454
https://doi.org/10.1016/j.ica.2023.121454
Autor:
Boris Galabov, Sonia Ilieva, Diana Cheshmedzhieva, Valya Nikolova, Vassil A. Popov, Boriana Hadjieva, Henry F. Schaefer
Publikováno v:
ACS omega. 7(10)
Recent advances in quantifying nucleophilic reactivities in chemical reactions and intermolecular interactions of aromatic molecules are reviewed. This survey covers experimental (IR frequency shifts induced by hydrogen bonding) and theoretical (mode
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::bec648f7ec02354fd2c56a1dd5766216
https://pubmed.ncbi.nlm.nih.gov/35309413
https://pubmed.ncbi.nlm.nih.gov/35309413
Publikováno v:
ChemistrySelect. 4:10934-10942
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a8f61a87054f13e0f3e504288a922019
https://doi.org/10.1002/slct.201902460
https://doi.org/10.1002/slct.201902460
Publikováno v:
Journal of Physical Organic Chemistry. 34
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7caff2ddb6f42bddba0202702792e522
https://doi.org/10.1002/poc.4258
https://doi.org/10.1002/poc.4258
Publikováno v:
Chemical Physics Letters. 791:139378
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9547b4594bfe68e586d44267eee01cb8
https://doi.org/10.1016/j.cplett.2022.139378
https://doi.org/10.1016/j.cplett.2022.139378
Publikováno v:
Chemistry – A European Journal. 24:11637-11648
The potential energy surfaces for the SN 2 reactions of allyl and propyl chlorides with 21 anionic and neutral nucleophiles was studied by using ωB97X-D/6-311++G(3df,2pd) computations. The "allylic effect" on SN 2 barriers was observed for all react
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3fefd912e1636f51a46809ffedc887bf
https://doi.org/10.1002/chem.201801187
https://doi.org/10.1002/chem.201801187
Publikováno v:
The journal of physical chemistry. A. 123(5)
The shifts of phenol O–H stretching vibration frequencies [Δν(OH)exp] upon π-hydrogen bonding with aromatic compounds is proposed as a spectroscopic probe of the reactivity of aromatic substrates toward electrophiles. A single infrared spectrum
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1cae530f0caa8fd3fc1bf441d62794c3
https://pubmed.ncbi.nlm.nih.gov/30624929
https://pubmed.ncbi.nlm.nih.gov/30624929
Publikováno v:
Accounts of Chemical Research. 49:1191-1199
The classic SEAr mechanism of electrophilic aromatic substitution (EAS) reactions described in textbooks, monographs, and reviews comprises the obligatory formation of arenium ion intermediates (σ complexes) in a two-stage process. Our findings from
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d7bcba43e43965c1afb8bc4c91e7a7c3
https://doi.org/10.1021/acs.accounts.6b00120
https://doi.org/10.1021/acs.accounts.6b00120