The hydration state of a compound depends on the activity of water (aH2O) in its crystallizing medium. This study utilized powd...

To investigate the enthalpy relaxation behavior of xylitol glass and the influence of carbon chain length on the glass transiti...

First-principles theoretical study of the elastic and thermodynamic properties of ZnTe in zinc-blende (ZB) structure at high te...

Nanosecond transient Raman spectroscopy is a widely used technique to investigate ultrafast structural dynamics in molecules. W...

Low pressure premixed laminar dimethyl ether (DME)/oxygen/argon and ethanol/oxygen/argon flames (equivalence ratio: 1.0) were s...

NiCo2O4 nanoparticles were synthesized using a sol-gel method. Their structures and morphologies were characterized using X-ray...

Dithio-N,N'-dimethoxypropyldipropionamide (DPDA) was investigated as a corrosion inhibitor for mild steel in 1 mol·L-1 h...

Steel pipe corrosion and scaling is a universal problem during the exploitation and use of geothermal resources. Scanning elect...

We investigated the use of a novel organic compound, 1,4,5,8-tetrahydroxy-9,10-anthraquinone (THAQ), and its oxidized product (...

The oxalate co-precipitation method was used to synthesize LiNi0.5Mn0.5O2. The effects of pH on the structure, morphology, and ...

Heavy oil is an extremely complex colloidal system where asphaltenes, as the core of micelles, are dispersed in the continuous ...

Epigallocatechin-3-gallate (EGCG) was successfully extracted from Huangshan green tea using an ion-precipitation and extraction...

Poly(6-dodecyl-2-(acrylamidomethoxy)-1,3,6,2-dioxaza borocane) (PADB) is a novel amphiphilic polyborate. The surface activity o...

TiO2 catalysts deposited on activated carbon (TiO2/AC) were prepared by sol-gel and dip-hydrothermal methods to investigate the...

Salicylic acid (SA), the active ingredient of aspirin, is effective in various medical treatments such as cosmetology and antic...

The absorption spectrum of the N2O molecule in the wavelength range of 143.6-146.9 nm was measured under the jet-cooled conditi...

This article reviewed recent progresses in the design of a new class of chemical oscillators and developed a generic model that...

meso-substituted porphyrin derivatives show great potential for use as red light-emitting materials. We used density functional...

Density functional theory (DFT) and the configuration interaction with single excitations (CIS) method were used to optimize th...

The UB3LYP(B3LYP)/6-31+G** method of density functional theory (DFT) was employed to optimize the geometrical structures of bis...

To explore the relationship between the structures and color of a quinoid lignin, quantum chemical calculations on fivemodel li...

This paper presents ab initio and density functional theory (DFT) calculations on the excited state intramolecular proton trans...

Molecular structures, electronic spectra, and the thermal trans-cis isomerization of azobezene (AB) confined inside an armchair...

Density functional theory (DFT) calculations and periodic slab models were used to investigate the geometrical structures and s...

A simplified slab model was used to evaluate the effect of Pb content at the Al(100) surface on the chemical potentials and ele...

Within the framework of density functional theory (DFT), a free energy function was formulated in terms of modified fundamental...

We proposed a periodic interaction model for the magnesium-tin layered double hydroxides, Mg3Sn-LDHs-yH2O. Based on density fun...

We studied the reaction of CH3SH+H theoretically using a dual-level direct dynamics method. Three reaction channels: two H-abst...

A neural network approach was used to correct three parameters (a0, ax, and ac) in the B3LYP method for constructing a new B3LY...

Based on the order rule for substituents on a chiral carbon atom, a novel structural parameter, the molecular chiral index (wj ...

The active components in salvia miltiorrhiza bunge (danshen) include danshensu, labiatenic acid, and tanshinone, and they are k...

We performed molecular docking andmolecular dynamics (MD) simulations to investigate the interactions between fentanyl analogs ...

 In this study, we demonstrate that the trifluoromethyl-containing 1,2,3-triazole derivative (TF-TZ) inhibits mushroom tyr...

Two active components (psoralen and isopsoralen) of Chinese herbs having similar structures were studied. A combination of intr...

The vacuum thermal evaporation of KSCN onto the surface of a Ag electrode results in a AgK2(SCN)3 composite film through an int...

Pd-Ag alloy nanoparticle chains were fabricated on carbon fibers using three-pulse electrodeposition method. Pd-Ag alloy nanopa...

Co2+ doped ZnS semiconductor quantum dots (QDs) were synthesized in an aqueous solution at 70 ℃ using citric acid (CA) or merca...

In this paper, we describe multilayer ZnOthin films prepared by spin-coating precursor solutions of different concentrations. T...

Epitaxial graphene layers were successfully grown onto Si-terminated 6H-SiC(0001) substrates by thermal annealing using an ultr...

Acid orange 7 (AO7)-pillared Zn/Al layered double hydroxides (Zn/Al-AO7 LDHs) were successfully synthesized using the co-precip...