Výsledky vyhledávání - "Watit Sontising"

Combining crystal structure prediction and simulated spectroscopy in pursuit of the unknown nitrogen phase ζ crystal structure

Autor: Watit Sontising, Gregory J. O. Beran

Publikováno v: Physical Review Materials. 4

The structure of nitrogen phase $\ensuremath{\zeta}$ remains unknown decades after it was first observed spectroscopically, despite numerous experimental and theoretical investigations. The present computational study performs crystal structure predi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5d10a65502c3da15b30f59a28967119d
https://doi.org/10.1103/physrevmaterials.4.063601

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Theoretical predictions suggest carbon dioxide phases III and VII are identical

Autor: Watit Sontising, Jessica L McKinley, Yonaton N. Heit, Gregory J. O. Beran

Publikováno v: Chemical science, vol 8, iss 11

Solid carbon dioxide exhibits a rich phase diagram at high pressures. Metastable phase III is formed by compressing dry ice above ∼10-12 GPa. Phase VII occurs at similar pressures but higher temperatures, and its stability region is disconnected fr

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2e792047a54a1e50e2d9b5ae75189312
https://doi.org/10.1039/c7sc03267f

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Theoretical assessment of the structure and stability of the λ phase of nitrogen

Autor: Watit Sontising, Gregory J. O. Beran

Publikováno v: Physical Review Materials. 3

The $\ensuremath{\lambda}$ phase of nitrogen was reported in 2016 and is one of more than a dozen high-pressure solid nitrogen forms that have been discovered. However, its crystal structure could not be solved unambiguously from powder diffraction a

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::377489c06822d54c8c717cdbf0746020
https://doi.org/10.1103/physrevmaterials.3.095002

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Effects of alkoxide alteration on the ring-opening polymerization of ε-caprolactone initiated by n-Bu3SnOR: a DFT study

Autor: Chanchai Sattayanon, Winita Punyodom, Puttinan Meepowpan, Nawee Kungwan, Watit Sontising, Wanich Limwanich

Publikováno v: Structural Chemistry. 26:695-703

The ring-opening polymerization (ROP) of e-caprolactone (CL) initiated by tributyltin alkoxides (n-Bu3SnOR), where R = methyl (Me), ethyl (Et), propyl (Pr), and butyl (Bu), was investigated using density functional theory at B3LYP level with mixed ba

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::ada30f3f5c0de3a4d63de71a8ad6ab44
https://doi.org/10.1007/s11224-014-0527-y

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Theoretical study on the mechanism and kinetics of ring-opening polymerization of cyclic esters initiated by tin(II) n-butoxide

Autor: Chanchai Sattayanon, Jitrayut Jitonnom, Puttinan Meepowpan, Winita Punyodom, Nawee Kungwan, Watit Sontising

Publikováno v: Computational and Theoretical Chemistry. 1044:29-35

The coordination–insertion mechanisms of ring-opening polymerizations (ROP) of γ-valerolactone ( GVL ), δ-valerolactone ( DVL ) and l -lactide ( LL ) initiated by tin(II) n -butoxide were investigated using hybrid density functional theory at the

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::2343ae8fd645ea4a3e8f79709b5dd60d
https://doi.org/10.1016/j.comptc.2014.06.008

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Structural switching in self-assembled metal-ligand helicate complexes via ligand-centered reactions

Autor: Gregory J. O. Beran, Lauren R. Holloway, Hannah H. McGarraugh, Richard J. Hooley, Michael C. Young, Watit Sontising

Publikováno v: Chemical science, vol 7, iss 7
Holloway, LR; McGarraugh, HH; Young, MC; Sontising, W; Beran, GJO; & Hooley, RJ. (2016). Structural switching in self-assembled metal-ligand helicate complexes via ligand-centered reactions. CHEMICAL SCIENCE, 7(7), 4423-4427. doi: 10.1039/c6sc01038e. UC Riverside: Retrieved from: http://www.escholarship.org/uc/item/3pf5m4vp

Ligand centered reactions are capable of conferring structural switching between a metastable, self-assembled Fe-iminopyridine aggregate and a stable M2L3 helicate. The reactivity is directed and accelerated by the stability of the final product stru

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e94735a84c07386765f6386c68235231
https://escholarship.org/uc/item/3pf5m4vp

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Structural switching in self-assembled metal-ligand helicate complexes

Autor: Lauren R, Holloway, Hannah H, McGarraugh, Michael C, Young, Watit, Sontising, Gregory J O, Beran, Richard J, Hooley

Publikováno v: Chemical Science

Ligand centered reactions are capable of conferring structural switching between a metastable, self-assembled Fe–iminopyridine aggregate and a stable M2L3 helicate.
Ligand centered reactions are capable of conferring structural switching betwe

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::0df0b5c037306c7e4f36bbe1f82ba98c
https://pubmed.ncbi.nlm.nih.gov/30155089

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Theoretical study of the hydrogen abstraction of substituted phenols by nitrogen dioxide as a source of HONO

Autor: Watit Sontising, Abraham Shenghur, Kevin H. Weber, Fu-Ming Tao, Nhan D. Nguyen

Publikováno v: The journal of physical chemistry. A. 118(46)

The mild yet promiscuous reactions of nitrogen dioxide (NO2) and phenolic derivatives to produce nitrous acid (HONO) have been explored with density functional theory calculations. The reaction is found to occur via four distinct pathways with both p

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3d311c3ce7d30d39829a7743a1d6dd4b
https://pubmed.ncbi.nlm.nih.gov/25325182

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