Zobrazeno 1 - 8 of 8 pro vyhledávání: '"Yutaka, Tsubomoto"'
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Akademický článek
Behavior of the E–E’ Bonds (E, E’ = S and Se) in Glutathione Disulfide and Derivatives Elucidated by Quantum Chemical Calculations with the Quantum Theory of Atoms-in-Molecules Approach
Autor: Satoko Hayashi, Yutaka Tsubomoto, Waro Nakanishi
Publikováno v: Molecules, Vol 23, Iss 2, p 443 (2018)
The nature of the E–E’ bonds (E, E’ = S and Se) in glutathione disulfide (1) and derivatives 2–3, respectively, was elucidated by applying quantum theory of atoms-in-molecules (QTAIM) dual functional analysis (QTAIM-DFA), to clarify the basic
Externí odkaz: https://doaj.org/article/c20d6d9267994eff94b3811374c6bd73
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2
Nature ofE2X2σ(4c–6e) of theX---E—E---Xtype at naphthalene 1,8-positions and model, elucidated by X-ray crystallographic analysis and QC calculations with the QTAIM approach
Autor: Satoko Hayashi, Takahiro Sasamori, Yutaka Tsubomoto, Waro Nakanishi, Norihiro Tokitoh
Publikováno v: Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials. 73:265-275
The nature ofE2X2σ(4c–6e) of theX-*-E-*-E-*-Xtype is elucidated for 1-(8-XC10H6)E–E(C10H6X-8′)-1′ [(1)E,X= S, Cl; (2) S, Br; (3) Se, Cl; (4) Se, Br] after structural determination of (1), (3) and (4), together with modelA[MeX---E(H)—E(H)--
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::71130788044e08e08cfe18ee4b189148
https://doi.org/10.1107/s205252061700364x
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3
Behavior of Intramolecular π-π Interactions with Doubly Degenerated Bond Paths Between Carbon Atoms in Opposite Benzene Rings of Diethenodihydronaphthalenes by QTAIM Approach
Autor: Satoko Hayashi, Waro Nakanishi, Kohei Matsuiwa, Yutaka Tsubomoto, Yuji Sugibayashi
Publikováno v: ChemistrySelect. 2:90-100
Dynamic and static nature of intramolecular π-π interactions between ethylene moieties in diethenodihydronaphthanaphtalene (1 b) and derivatives (2 b–12 b) are elucidated by employing QTAIM-DFA (QTAIM dual functional analysis). During the course
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::3c5300094ca735c041d90a58d057f169
https://doi.org/10.1002/slct.201601494
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4
Nature of S2Se2 σ(4c–6e) at naphthalene 1,8-positions and models, elucidated by QTAIM dual functional analysis
Autor: Waro Nakanishi, Yutaka Tsubomoto, Satoko Hayashi
Publikováno v: RSC Advances. 6:93195-93204
The nature of extended hypervalent interactions of the BE–*–AE–*–AE–*–BE type is elucidated for 1-(8-MeBEC10H6)AE–AE(C10H6BEMe-8′)-1′, (1 (AE, BE) = (S, S), 2 (S, Se), 3 (Se, S) and 4 (Se, Se)) and models A–D, BR2BE⋯(AR)AE–AE(
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::276752e6fe9097919942a3dd94268d4e
https://doi.org/10.1039/c6ra17767k
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5
High-resolution X-ray diffraction determination of the electron density of 1-(8-PhSC10H6)SS(C10H6SPh-8′)-1′ with the QTAIM approach: evidence for S4 σ(4c–6e) at the naphthalene peri-positions
Autor: Lucy K. Mapp, Yutaka Tsubomoto, Satoko Hayashi, Simon J. Coles, Waro Nakanishi
An extended hypervalent S4 σ(4c–6e) system was confirmed for the linear BS-∗-AS-∗-AS-∗-BS interaction in 1-(8-PhBSC10H6)AS–AS(C10H6BSPh-8′)-1′ (1) via high-resolution X-ray diffraction determination of electron densities. The presence
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1277255c92deec865421090e36699908
https://eprints.soton.ac.uk/418999/
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6
Dynamic and static behavior of the E–E′ bonds (E, E′ = S and Se) in cystine and derivatives, elucidated by AIM dual functional analysis
Autor: Yutaka Tsubomoto, Waro Nakanishi, Satoko Hayashi
Publikováno v: RSC Advances. 5:11534-11540
Atoms-in-molecules dual functional analysis (AIM-DFA) is applied to the E–E′ bonds (E, E′ = S and Se) in R-cystine (1) and the derivatives of 1, together with MeEE′Me. Hb(rc) are plotted versus Hb(rc) − Vb(rc)/2 at bond critical points (BCP
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::d7a0e8616797cb9bccb62e8d14fac747
https://doi.org/10.1039/c4ra13276a
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8
Nature of E
Autor: Yutaka, Tsubomoto, Satoko, Hayashi, Waro, Nakanishi, Takahiro, Sasamori, Norihiro, Tokitoh
Publikováno v: Acta crystallographica Section B, Structural science, crystal engineering and materials. 73(Pt 2)
The nature of E
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::3153587df82880f2c4cd874120b8fb00
https://pubmed.ncbi.nlm.nih.gov/28362291
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