Zobrazeno 1 - 10
of 20
pro vyhledávání: '"Jee Hwan Jang"'
Publikováno v:
Scientific Reports, Vol 12, Iss 1, Pp 1-14 (2022)
Abstract Targeting the signaling pathway of the Vascular endothelial growth factor receptor-2 is a promising approach that has drawn attention in the quest to develop novel anti-cancer drugs and cardiovascular disease treatments. We construct a scree
Externí odkaz:
https://doaj.org/article/e7c3c3a097cf412f8471318be1d0b36c
Publikováno v:
Food Chemistry. 383:132435
The development of safe artificial sweeteners has attracted considerable interest in the food industry. Previous machine learning (ML) studies based on quantitative structure-activity relationships have provided some molecular principles for predicti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0616f142107ba9f0eb98f2245f2d0022
https://doi.org/10.1016/j.foodchem.2022.132435
https://doi.org/10.1016/j.foodchem.2022.132435
Publikováno v:
Journal of Power Sources. 109:313-320
Novel characterization of the thermal properties of batteries have been introduced by defining their frequency-dependent thermal impedance functions. The thermal impedance function can be approximated as a thermal impedance spectrum by analyzing the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a075226ee8c7aab30475c87a5e863885
https://doi.org/10.1016/s0378-7753(02)00080-0
https://doi.org/10.1016/s0378-7753(02)00080-0
Publikováno v:
Journal of the American Chemical Society. 122:6476-6487
Density functional calculations have been carried out to investigate the mechanisms of ethene hydrogenation reactions catalyzed by four different titanocene complexes, Cp2Ti(CO)2, Cp2Ti(CH3)2, Cp2Ti(C6H5)2, and Cp2Ti(p-C6H4CH3)2 (Cp: cyclopentadienyl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::467ba7331c8c0c21a0d91b109de5c87b
https://doi.org/10.1021/ja991799l
https://doi.org/10.1021/ja991799l
Autor:
Hyuk Choi, Jin Yong Lee, Hosull Lee, Sang Joo Lee, Kwang S. Kim, Pilarisetty Tarakeshwar, Jung Goo Lee, Tae-Kyu Ha, Jee Hwan Jang
Publikováno v:
The Journal of Chemical Physics. 111:5838-5850
We have carried out a detailed investigation of the nature of the π-H interaction in the ethene–H2O, benzene–H2O, and benzene–(H2O)2 complexes using large basis sets (ranging from 6-31+G* to TZ2P++) and high levels of theory. The minimum geome
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::86708d5e2dc5a5d7543ce535395384e8
https://doi.org/10.1063/1.479879
https://doi.org/10.1063/1.479879
Autor:
Sung-Seen Choi, Jee Hwan Jang
Publikováno v:
Polymer. 39:5861-5866
Tack behaviours of p - t -octylphenol formaldehyde resin with rubbers, such as cis -1,4-polyisoprene and cis -1,4-polybutadiene, were studied using molecular mechanics and dynamics. The structures of p - t -octylphenol formaldehyde resin were found t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9ca9635eac9597e03c556ea7fc45f360
https://doi.org/10.1016/s0032-3861(97)10391-3
https://doi.org/10.1016/s0032-3861(97)10391-3
Molecular Structures and Vibrational Frequencies of Iron Carbonyls: Fe(CO)5, Fe2(CO)9, and Fe3(CO)12
Publikováno v:
The Journal of Physical Chemistry A. 102:5298-5304
Hybrid Hartree−Fock/density functional theory (HF/DFT) explicitly including all electrons has been employed to study the three iron carbonyls Fe(CO)5, Fe2(CO)9, and Fe3(CO)12. The geometries are fully optimized by the BP86 and B3LYP methods in conj
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e049f333a0906c9e19aad4392dd1222f
https://doi.org/10.1021/jp981356o
https://doi.org/10.1021/jp981356o
Publikováno v:
Chemical Physics Letters. 265:497-502
On the realistic energy hypersurface of the floppy benzene-water complex obtained with high-levels of ab inition theory, the experimental structure, rotational constants and binding energy cannot be described simply in terms of the equilibrium positi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1cf8a520e91dd5c606f725d7efa4f3fc
https://doi.org/10.1016/s0009-2614(96)01473-x
https://doi.org/10.1016/s0009-2614(96)01473-x
Autor:
Keum-Ju Lee, Jeong-O Lee, Jee-Hwan Jang, Do Won Kim, Hyunju Chang, Ki-jeong Kong, B. Kim, Hye-Mi So
Publikováno v:
Journal of Nanomaterials, Vol 2011 (2011)
We demonstrate that Au-cluster-decorated single-walled carbon nanotubes (SWNTs) may be used to discriminate single nucleotide polymorphism (SNP). Nanoscale Au clusters were formed on the side walls of carbon nanotubes in a transistor geometry using e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::58d1a1031e330868cab03427e2de0bdf
https://doaj.org/article/a8abfce971e048b7ac591f3e1c14a5e9
https://doaj.org/article/a8abfce971e048b7ac591f3e1c14a5e9
Autor:
Henry F. Schaefer, Chang Woo Yoon, Byung Jin Mhin, Kwang S. Kim, Jee Hwan Jang, Ho Soon Kim, Yaoming Xie
Publikováno v:
Molecular Physics. 76:537-546
Ab initio quantum mechanical methods have been applied to the S6 and O6 molecules at their respective D3d hexagonal chair equilibrium geometries. Double zeta plus polarization (DZ + P) and triple zeta plus double polarization (TZ + 2P) basis sets hav
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fc7460a8911e5dc257238f78354b1285
https://doi.org/10.1080/00268979200101521
https://doi.org/10.1080/00268979200101521