Zobrazeno 1 - 7
of 7
pro vyhledávání: '"Irina Minenkova"'
Publikováno v:
Symmetry, Vol 13, Iss 9, p 1681 (2021)
A combination of theoretical and experimental approaches was applied to determine the chromatographic rules of isomeric compounds’ behavior for preliminary identification. In gas chromatography-mass spectrometry (GC-MS), identification is performed
Externí odkaz:
https://doaj.org/article/7231a7ac96374c7f8dac18641b82ee5b
Publikováno v:
Physical Chemistry Chemical Physics. 24:3163-3181
We introduce a protocol aimed at predicting the accurate gas-phase enthalpies of formation of polycyclic aromatic hydrocarbons (PAHs). Automatic generation of a dataset of equilibrated chemical reactions preserving the number of carbon atoms in each
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b3550fd077b83731c77e45e5ef2a0f25
https://doi.org/10.1039/d1cp03702a
https://doi.org/10.1039/d1cp03702a
Publikováno v:
Inorganic Chemistry. 59:17084-17095
A domain-based local-pair natural-orbital coupled-cluster approach with single, double, and improved linear-scaling perturbative triple correction via an iterative algorithm, DLPNO-CCSD(T1), was applied within the framework of the Feller-Peterson-Dix
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ecd70810a8db48fdca52c138e3f95cf3
https://doi.org/10.1021/acs.inorgchem.0c02292
https://doi.org/10.1021/acs.inorgchem.0c02292
Autor:
Aleksei V. Uleanov, I. S. Pytskii, Irina Minenkova, Aleksei K. Buryak, R. K. Zalavutdinov, E. S. Kuznetsova
Publikováno v:
Pure and Applied Chemistry. 92:1227-1237
The article describes a comprehensive mass spectrometric approach to the study of surfaces of structural materials. The combined use of thermal desorption mass spectrometry, gas and liquid chromatography, and laser desorption/ionization mass spectrom
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::4d3f90e67cf7479032baf66e957e2d3f
https://doi.org/10.1515/pac-2019-1219
https://doi.org/10.1515/pac-2019-1219
Publikováno v:
Symmetry
Volume 13
Issue 9
Symmetry, Vol 13, Iss 1681, p 1681 (2021)
Volume 13
Issue 9
Symmetry, Vol 13, Iss 1681, p 1681 (2021)
A combination of theoretical and experimental approaches was applied to determine the chromatographic rules of isomeric compounds’ behavior for preliminary identification. In gas chromatography-mass spectrometry (GC-MS), identification is performed
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::feb9133d8bf00c8018983ee161b18c0c
Publikováno v:
Inorganic chemistry. 59(23)
A domain-based local-pair natural-orbital coupled-cluster approach with single, double, and improved linear-scaling perturbative triple correction via an iterative algorithm, DLPNO-CCSD(
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::62cedfcf1eb4358a07f075c01ee031ab
https://pubmed.ncbi.nlm.nih.gov/33210914
https://pubmed.ncbi.nlm.nih.gov/33210914
Publikováno v:
Inorganic chemistry. 58(12)
Domain-based local pair natural orbital coupled cluster approach with single, double, and perturbative triple excitations, DLPNO-CCSD(T), has been applied within a framework of a reduced version of the reaction-based Feller-Peterson-Dixon (FPD) schem
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::948875288dab57c6938fc19cbd96c45a
https://pubmed.ncbi.nlm.nih.gov/31185536
https://pubmed.ncbi.nlm.nih.gov/31185536