Zobrazeno 1 - 10
of 103
pro vyhledávání: '"Viktor N. Staroverov"'
Publikováno v:
The Journal of Physical Chemistry B. 127:4061-4071
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c7da4ff79ad05b86b0316209ac0ac2e2
https://doi.org/10.1021/acs.jpcb.3c01581
https://doi.org/10.1021/acs.jpcb.3c01581
Publikováno v:
The Journal of Physical Chemistry A. 127:2664-2669
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8d81c38c5c1bd618186d9c713d673385
https://doi.org/10.1021/acs.jpca.3c00119
https://doi.org/10.1021/acs.jpca.3c00119
Autor:
Yan Oueis, Viktor N. Staroverov
Publikováno v:
Journal of Chemical Theory and Computation. 18:6092-6098
Within a basis set of one-electron functions that form linearly independent products (LIPs), it is always possible to construct a unique local (multiplicative) real-space potential that is precisely equivalent to an arbitrary given operator. Although
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3317c230b40d6decbebf0f590184006a
https://doi.org/10.1021/acs.jctc.2c00655
https://doi.org/10.1021/acs.jctc.2c00655
Autor:
Viktor N. Staroverov
Publikováno v:
The Journal of Physical Chemistry Letters. 13:6839-6844
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3eb50c69effdbdb4d85ffeb202c6ca69
https://doi.org/10.1021/acs.jpclett.2c01827
https://doi.org/10.1021/acs.jpclett.2c01827
Publikováno v:
The Journal of Physical Chemistry C. 125:18614-18622
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::49f17b82c51727d4e7e827f8a76c43e8
https://doi.org/10.1021/acs.jpcc.1c05593
https://doi.org/10.1021/acs.jpcc.1c05593
Autor:
Viktor N, Staroverov
Publikováno v:
The journal of physical chemistry letters. 13(29)
The notion of noninteracting
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::ad0f6500e3807f1bd7dd4c46eb503ddd
https://pubmed.ncbi.nlm.nih.gov/35858485
https://pubmed.ncbi.nlm.nih.gov/35858485
Publikováno v:
Chemistry Publications
Incorporation of cationic boron atoms into molecular frameworks is an established strategy for creating chemical species with unusual bonding and reactivity but is rarely thought of as a way of enhancing molecular optoelectronic properties. Using bor
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4e04a48b4f20e93781f8042a4cbc8944
https://doi.org/10.1002/ange.202015036
https://doi.org/10.1002/ange.202015036
A strongly Lewis-acidic and fluorescent borenium cation supported by a tridentate formazanate ligand
Autor:
Benjamin D. Katzman, Daniela Cappello, Joe B. Gilroy, Ryan R. Maar, Paul D. Boyle, Madeleine O. Sattler, Viktor N. Staroverov
Publikováno v:
Chemistry Publications
Lewis acids are highly sought after for their applications in sensing, small-molecule activation, and catalysis. When combined with π-conjugated molecular frameworks, Lewis acids with unique optoelectronic properties can be realized. Here, we use a
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1523c80dd36e82155c89907e1bb08822
https://doi.org/10.1039/d1cc03873g
https://doi.org/10.1039/d1cc03873g
Autor:
Yan Oueis, Viktor N. Staroverov
Publikováno v:
The Journal of Chemical Physics. 157:204107
Harriman showed that within finite basis sets of one-electron functions that form linearly independent products (LIP), differential and integral operators can be represented exactly and unambiguously by multiplicative (local) potentials. Although alm
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4b76fd6477d462aa97bb2e163523563b
https://doi.org/10.1063/5.0128508
https://doi.org/10.1063/5.0128508
Autor:
Viktor N. Staroverov, Jan Cami, Heather MacIsaac, Alessandra Candian, Els Peeters, Marina Gomes Rachid
Publikováno v:
Monthly Notices of the RAS (0035-8711), 485(1), 1137-1146
We report a computational study of the stability and infrared (IR) vibrational spectra of neutral and singly ionised fullerene cages containing between 44 and 70 carbon atoms. The stability is characterised in terms of the standard enthalpy of format
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::705b4930d0e348f114e15f81d763753f
https://doi.org/10.1093/mnras/stz450
https://doi.org/10.1093/mnras/stz450