Zobrazeno 1 - 10 of 42 pro vyhledávání: '"Henry N. Po"'
1
Kinetics and mechanism of the oxidation of a heterocyclic thioamide by silver(II)-cyclam
Autor: Shu-Chin Shen, Mahmud Roziahanim, Henry N. Po, Chosu Khin, Monica Weiss
Publikováno v: Journal of Coordination Chemistry. 57:1015-1026
The kinetics of the oxidation of 4,6-dimethyl-2-mercaptopyrimidine (DMP) by Ag(cyclam)2+ were studied in buffer solutions from pH 5.8 to 7.2 at constant ionic strength of 0.10 M (NaClO4). The reaction is observed to be first-order with respect to [Ag
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0c74bf64b048c2791e10df59a1ebd229
https://doi.org/10.1080/00958970412331281755
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2
Kinetics and Mechanism of the Oxidation of 4-Methyl-2-Mercaptopyrimidine by Silver(II)-Cyclam and the Thermodynamics of its Acid-Base Reaction
Autor: Henry N. Po, Shu-Chin Shen, Janet L. Hunting, Rosidah Radzian, Roziahanim Mahmud
Publikováno v: Journal of Coordination Chemistry. 51:399-416
The kinetics of the oxidation of 4-methyl-2-mercaptopyrimidine (MMP) by Ag(cyclam)2+ was studied in buffer solutions from pH 5.68 to 7.33 at total ionic strength of 0.10 M (NaClO4). The reaction is first order with respect to each of the reactants, a
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::12c7328e2836e563ed927d51410e737c
https://doi.org/10.1080/00958970008055143
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3
Molecular orbital calculations on the conformers of dihydrodioxins and of the conformational energies of 2-alkyl-4H-1,3-dioxins
Autor: Fillmore Freeman, Henry N. Po, W.J. Hehre
Publikováno v: Journal of Molecular Structure: THEOCHEM. 503:145-163
Ab initio molecular orbital theory using the 3-21G(∗), 6-31G∗, 6-31G∗∗, 6-311G∗∗ basis sets, Moller-Plesset perturbation theory [MP2/3-21G(∗)//3-21G(∗), MP2/6-31G∗//6-31G∗, MP2/6-31G∗∗//6-31G∗∗, MP2/6-311G∗∗//6-311G∗
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::1b262055da10f58bc04de0a1c9af03ba
https://doi.org/10.1016/s0166-1280(99)00260-2
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4
Ab initio molecular orbital study of energies and conformers of 3,4-dihydro-1,2-dithiin, 3,6-dihydro-1,2-dithiin, 4H-1,3-dithiin, and 2,3-dihydro-1,4-dithiin
Autor: Choonsun Lee, Warren J. Hehre, Henry N. Po, Fillmore Freeman
Publikováno v: Journal of Computational Chemistry. 19:1064-1071
Optimized geometries and energies for 3,4-dihydro-1,2-dithiin (1), 3,6-dihydro-1,2-dithiin (2), 4H-1,3-dithiin (3), and 2,3-dihydro-1,4-dithiin (4) were calculated using ab initio 6-31G* and MP2/6-31G*//6-31G* methods. At the MP2/6-31G*//6-31G* level
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::4d7ca78077f76de19bd7ccd4dfb8bc40
https://doi.org/10.1002/(sici)1096-987x(19980715)19:9<1064::aid-jcc7>3.0.co
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5
Ab initio molecular orbital calculations for 3,6-dihydro-1,2-dithiin and 3,6-dihydro-1,2-dioxin
Autor: Fillmore Freeman, Henry N. Po, Choonsun Lee, Warren J. Hehre
Publikováno v: Journal of Computational Chemistry. 14:1376-1384
Optimized geometries and total energies for the conformers of 3,6-dihydro-1,2-dithiin (2) and 3,6-dihydro-1,2-dioxin (3) were calculated at several ab initio MO levels: RHF/3-21G(*), RHF/6-31G*, MP2/6-31G*, and MP2/6-31G*/ /RHF/3-21G(*). For the diox
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::bd14b70527e46acf425b839347159b6f
https://doi.org/10.1002/jcc.540141114
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7
THERMODYNAMIC AND ELECTROCHEMICAL PROPERTIES OF IMIDAZOLE-2-THIOLS (IMIDAZOLE-2(3H)-THIONES)
Autor: Monica C. Keindl-yu, Zarila Shariff, Jeffrey A. Masse, Fillmore Freeman, Henry N. Po
Publikováno v: Phosphorus, Sulfur, and Silicon and the Related Elements. 63:1-12
The oxidation and reduction potentials for eight imidazole-2-thiols [imidazole-2-thiol (1a), 1-methyl-(1b), 4,5-dimethyl- (1c), 1,4,5-trimethyl- (1d), 4,5-diphenyl- (1e), benz- (1f), 5-methylbenz- (1g), and 5-nitrobenzimidazole-2-thiol (1h)] have bee
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::38bedf92c43cfd65d6166989d0300fd0
https://doi.org/10.1080/10426509108029421
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8
Electrochemical oxidation of 2-pyrimidinethiols and theoretical study of their dimers, disulfides, sulfenyl radicals, and tautomers
Autor: Thach S. Ho, Fillmore Freeman, Ximeng Wang, Henry N. Po
Publikováno v: The journal of physical chemistry. A. 112(7)
The relative energies and structures of 2-pyrimidinethiol (1), 4-methyl-2-pyrimidinethiol (3), 5-methyl-2-pyrimidinethiol (5), and 4,6-dimethylpyrimidinethiol (7), and their dimers, disulfides, sulfenyl radicals, and tautomers have been studied using
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::50db482e25c9b8b6052e7afcc12756c0
https://pubmed.ncbi.nlm.nih.gov/18220373
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9
Dimers of and tautomerism between 2-pyrimidinethiol and 2(1H)-pyrimidinethione: a density functional theory (DFT) study
Autor: Fillmore Freeman, Henry N. Po
Publikováno v: The journal of physical chemistry. A. 110(25)
Density functional theory (BLYP, B3LYP, B3P86, B3PW91) with the 6-31+G(d,p), 6-311+G(d,p), and cc-pVTZ basis sets has been used to calculate structural parameters, relative energies, and vibrational spectra of 2-pyrimidinethiol (1) and 2(1H)-pyrimidi
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5d152e772216455f55d1fe4038554f56
https://pubmed.ncbi.nlm.nih.gov/16789779
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