Zobrazeno 1 - 10
of 16
pro vyhledávání: '"Wanutcha Lorpaiboon"'
Publikováno v:
MethodsX, Vol 8, Iss , Pp 101416- (2021)
The exhaustive enumeration of 3D chemical structures based on Z-matrix templates has recently been used in the quantum chemical investigation of constitutional isomers, diastereomers and rotamers. This simple yet powerful initial structure generation
Externí odkaz:
https://doaj.org/article/7ad0db79df244d75ae2448ca8324b2f8
Publikováno v:
Data in Brief, Vol 27, Iss , Pp - (2019)
This article presents theoretical data on geometric and energetic features of halogenated compounds of ethene (CC), imine (CN), methylenephosphine (CP), iminophosphine (NP), diazene (NN), diphosphene (PP) and cyclopropane (Δ). The
Externí odkaz:
https://doaj.org/article/c1301f35e2ff4745afe7caefec5e20fd
Publikováno v:
PLoS ONE, Vol 14, Iss 9, p e0216577 (2019)
Prevalence of mentholated products for consumption has brought great importance to studies on menthol's metabolic pathways to ensure safety, design more potent derivatives, and identify therapeutic benefits. Proposed pathways of (-)-menthol metabolis
Externí odkaz:
https://doaj.org/article/4261d3735e384fd28a6be88e9e6651fb
Autor:
Pathorn Teptarakulkarn, Wanutcha Lorpaiboon, Thana Anusanti, Natchapol Laowiwatkasem, Kittipong Chainok, Preeyanuch Sangtrirutnugul, Panida Surawatanawong, Teera Chantarojsiri
Publikováno v:
Inorganic Chemistry. 61:11066-11074
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5c4b45ca851234e9374493c1e4bd4c62
https://doi.org/10.1021/acs.inorgchem.2c00762
https://doi.org/10.1021/acs.inorgchem.2c00762
Calculation of molecular geometries and harmonic vibrational frequencies are pre-requisites for thermochemistry calculations. Contrary to conventional wisdom, this paper demonstrates that quantum chemical predictions of the thermochemistry of many ch
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::432b8f9296ea71c83e4b0ab4a93a0b05
https://doi.org/10.26434/chemrxiv-2023-r0phz
https://doi.org/10.26434/chemrxiv-2023-r0phz
Publikováno v:
Molecular Physics.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::61770cf887e9666e46edd30bb7e26f41
https://doi.org/10.1080/00268976.2022.2117661
https://doi.org/10.1080/00268976.2022.2117661
Publikováno v:
Organic & Biomolecular Chemistry. 19:7518-7534
In recent years, there has been increasing interest in utilising halogen bonds in organic synthesis, especially in aromatic halogenation reactions. N-Halosuccinimides and 1,3-dihalo-5,5-dimethylhydantoins are popular sources of halonium ions due to t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6bef3db3c454a4da24b8ddf9f6a00f27
https://doi.org/10.1039/d1ob00936b
https://doi.org/10.1039/d1ob00936b
The exhaustive enumeration of 3D chemical structures based on Z-matrix templates has recently been used in the quantum chemical investigation of constitutional isomers, diastereomers and rotamers. This simple yet powerful initial structure generation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a3128e8ce0345ca9483a18b349c09076
https://doi.org/10.22541/au.164864672.22064975/v1
https://doi.org/10.22541/au.164864672.22064975/v1
Publikováno v:
Analytical Methods. 12:2009-2015
A novel device for trapping gaseous compounds was invented and employed to create a user-friendly cyanide test kit for aqueous solutions. This specially designed device is housed in a small polypropylene straw with one end sealed. The device is packa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a6391f1dc7b1fabcc9a2dbbb1535bd6e
https://doi.org/10.1039/d0ay00245c
https://doi.org/10.1039/d0ay00245c
Publikováno v:
MethodsX, Vol 8, Iss, Pp 101416-(2021)
MethodsX
MethodsX
The exhaustive enumeration of 3D chemical structures based on Z-matrix templates has recently been used in the quantum chemical investigation of constitutional isomers, diastereomers and rotamers. This simple yet powerful initial structure generation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1813d3029bc7de70561044c31900eb6d
http://www.sciencedirect.com/science/article/pii/S2215016121002090
http://www.sciencedirect.com/science/article/pii/S2215016121002090