2019年12月15日 · In this study, we have compared two potential HMTA models with different Lennard-Jones (L-J) combination rules. We have considered five different concentrations of HMTA, ranging from pure water to 6.181 m HMTA at 298 K, whereas to calculate the temperature dependence from 298 K to 353 K, we have used 4.187 m concentration of HMTA.

2024年12月15日 · The theoretical Raman spectra of HMTA and HMTA-Au, HMTA-Au 2, HMTA-Au 3, HMTA-Au 4 complexes were calculated using the B3LYP functional and the effective core potential LANL2DZ level. These theoretical Raman spectra were compared with the SERS spectra after derivatization with 50 mg/L ammonium chloride, and the results are shown in Fig. 7 .

2022年11月7日 · Organic complexant hexamine (hexamethylenetetramine, HMTA) is doped with alkaline earth (AE) metals, and new complexes are designed systematically to explore their nonlinear optical (NLO) properties by carrying out DFT calculations. Optimization of afresh designed geometries has shown their sufficient thermodynamic stability.

2021年9月22日 · The asymmetric unit (AU) of the supramolecular complex is constituted by half a molecule of water, IPA and HMTA. These components lie on two adjacent crystallographic planes {040}. While the acid molecule lies entirely on the 040 crystallographic plane, the HTMA is cut in two by the plane passing through the atoms N3C10C12N1 (see Figure 1 ).

2012年5月15日 · A green, one-step method for synthesis of graphene–Au nanoparticles (graphene–AuNPs) was introduced in this article, using an environmentally benign hexamethylenetetramine (HMTA) as reducing and stabilizing agent. HMTA slowly was hydrolyzed to generate aldehyde ammonia to reduce graphene oxides …

在这种情况下，针对浓度范围为 1-100 mM 的不同前体（即硝酸锌和六亚甲基四胺 (HMTA)）仔细研究了来自 Au 种子层的 ZnO 纳米线的形成机制，其中形态特性的剧烈变化是观察到的。

2002年5月1日 · Effects of hexamethylenetetramine (HMTA) on the aqueous solution structure, dynamics and ion solvation scenario: A concentration and temperature dependent study with potential HMTA models. Journal of Molecular Liquids 2019 , 296 , 111820.

In this article, we demonstrate novel mesoporous Au-loaded TiO nanoparticle assemblies (Au–MTA) as high-effective catalysts for the selective transformation of nitroaromatics into the corresponding aryl amine products.

2022年10月31日 · 湖南大学王双印教授和邹雨芹教授等人通过电化学氧化生成的cu（e-od-cu）作为电催化剂，成功实现了六亚甲基四胺（hmta）的合成。hmta在多个工业领域有广泛应用，传统合成方法依赖高温高压下的氨，而

2012年5月15日 · A green, one-step method for synthesis of graphene-Au nanoparticles (graphene-AuNPs) was introduced in this article, using an environmentally benign hexamethylenetetramine (HMTA) as reducing and stabilizing agent. HMTA slowly was hydrolyzed to generate aldehyde ammonia to reduce graphene oxides …