Zobrazeno 1 - 6
of 6
pro vyhledávání: '"I. Shou Huang"'
Publikováno v:
Molecules, Vol 22, Iss 1, p 8 (2016)
A classical force field approach was used to characterize the solvation dynamics of high-density CO2(g) by monoethanolamine (MEA) at the air–liquid interface. Intra- and intermolecular CO2 and MEA potentials were parameterized according to the ener
Externí odkaz:
https://doaj.org/article/b17c6b3b053f4340a88e7073f235a1b7
Autor:
Ming Kang Tsai, Chun Chih Chang, Chen Cheng Liao, Yu Te Chan, Hao Rong Tsai, Meng Chi Hsieh, I. Shou Huang, Zong Rong Ye, Zhong Ji Li
Publikováno v:
RSC advances. 10(40)
Organic fluorescent molecules play critical roles in fluorescence inspection, biological probes, and labeling indicators. More than ten thousand organic fluorescent molecules were imported in this study, followed by a machine learning based approach
Autor:
I-Shou Huang1 FerrisWhiston@gmail.com, Jia-Jen Li1 sophy0956@gmail.com, Ming-Kang Tsai1 mktsai@ntnu.edu.tw
Publikováno v:
Molecules. Jan2017, Vol. 22 Issue 1, p8. 12p. 1 Color Photograph, 2 Diagrams, 3 Charts, 4 Graphs.
Publikováno v:
Physical chemistry chemical physics : PCCP. 21(41)
In this study, 121 copper(100) models with surface strain are used for simulating C-C bond formation by CO2 electrochemical reduction. Its catalytic properties have been characterized by considering the formation energies of various C1 and C2 interme
Autor:
I-Shou Huang, Ming Kang Tsai
Publikováno v:
The journal of physical chemistry. A. 122(19)
An adaptive force matching (AFM) scheme using the nonlinear optimization to reparametrize the three-site, flexible, and polarizable single-point-charge (SPC) water model is reported. We compare the radial distribution functions of the intermolecular
Publikováno v:
Molecules : A Journal of Synthetic Chemistry and Natural Product Chemistry
Molecules; Volume 22; Issue 1; Pages: 8
Molecules, Vol 22, Iss 1, p 8 (2016)
Molecules; Volume 22; Issue 1; Pages: 8
Molecules, Vol 22, Iss 1, p 8 (2016)
A classical force field approach was used to characterize the solvation dynamics of high-density CO2(g) by monoethanolamine (MEA) at the air–liquid interface. Intra- and intermolecular CO2 and MEA potentials were parameterized according to the ener