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Boundary-Driven Non-Equilibrium Molecular Dynamics Calculation of the Soret Coefficient in n-Hexane/n-Dodecane Mixtures

期刊: RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2021; 15 (3)

The Soret coefficients of n-hexane/n-dodecane mixtures were calculated by the enhanced heat exchange (eHEX) algorithm with the TraPPE-UA force field. ......

Theoretical Study on the Stability, Electronic, Magnetic and Spectral Properties of GanAg (n=1-7) Clusters

期刊: RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2021; 15 (3)

The possible geometric structures, relative stability, electronic, magnetic properties and spectral properties of GanAg (n = 1-7) clusters are investi......

Deoxygenation Reaction Kinetics of N,N-diethyl Hydroxylamine

期刊: RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2021; 15 (3)

The reaction kinetics of N,N-diethyl hydroxylamine (DEHA) and free oxygen in distilled water was studied. The kinetic model of chemical reaction was c......

Some Structural and Thermodynamic Parameters of Maize Starch from Different Maize Genotypes

期刊: RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2021; 15 (1)

The morphology, thermodynamic, and physicochemical properties of maize starch isolated from different maize cultivars with different genotypes are ana......

Synthesis and Interface Activity of Cetyltrimethylammonium Benzoate

期刊: RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2020; 14 (1)

Quaternary ammonium cationic surfactants are widely applied in many fields, such as textile, cosmetic and petrochemical industries, but the research o......

Investigation of Potential of Oxygen Reduction Reaction at Aluminum Doped Carbon Nanocage (Al-C-72) as a Catalyst

期刊: RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2020; 14 (1)

In this work, potentials of aluminum doped carbon nanocage (Al-C-72) as navel catalyst to oxygen reduction reaction in acidic environment are investig......

Mechanism and Kinetics of Sulfur Removal during Photo-Assisted Adsorptive Desulfurization (PADS)

期刊: RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2020; 14 (1)

Titanium (TiO2) adsorbents demonstrated enhanced sulfur removal capacities during the novel photo-assisted adsorptive desulfurization (PADS), and phot......

DFT Study of CN Oxidation (CN+1/2O(2) -> OCN) on the Surfaces of Chromium-Doped Nanotubes (Cr-CNT (8, 0) and Cr-BNNT (8,0))

期刊: RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2020; 14 (2)

The Cr-carbon nanotubes and Cr-boron nitride nanotubesas novel catalysts were used to find out the details of mechanisms of CN oxidation. The oxidatio......

Structural and Thermodynamic Characteristics of Potato Starches Depending on the Plant Genotype and Conditions of Their Cultivation

期刊: RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2020; 14 (3)

The creation of new highly productive forms of potato by genetic engineering methods raises the question about the quality of transgenic tubers, which......

Development of Components of Prolonged Action Antibacterial Dosage Forms Using SCF Technologies

期刊: RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2020; 14 (7)

Gentamicin and levofloxacin are encapsulated into bioresorbable polymer scaffolds and microparticles by the SCF methods: particles from gas saturated ......

Investigation of Aniline and N,N-Dimethylaniline as Acidic Corrosion Inhibitor: a Structure-Efficiency Relationship Study

期刊: RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2020; 14 (6)

In this study, aniline and N,N-dimethylaniline was evaluated as corrosion inhibitor for the A3 steel in 5% HCl solution, by the way of gravimetric mea......

Bidirectional Totally Asymmetric Simple Exclusion Process with a Bottleneck and Different Hopping Rates

期刊: RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2020; 14 (6)

This Letter investigates the bidirectional totally asymmetric simple exclusion process (TASEP) with a bottleneck and different hopping rates. The phas......

Theoretical Study on the Compounds of Chlorine Fluoride (ClF3, ClOF3) and Superhalogens (BeF2, MgF2): Preferred Structures and Significant Nonlinear Optical Properties

期刊: RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2020; 14 (6)

A new class of chlorine fluoride-superhalogen compounds, ClF3(O)-MF2, (M = Be, Mg) are theoretically studied using density functional theory (DFT). Th......

Potential of Carbon, Silicon, Boron Nitride and Aluminum Phosphide Nanocages as Anodes of Lithium, Sodium and Potassium Ion Batteries: A DFT Study

期刊: RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2019; 13 (1)

In this study, the potential of boron nitride (B21N21), aluminum phosphide (Al21P21), carbon (C-24) and silicon (Si-24) nanocages as anode electrodes ......

JIF:0.59

Characterization of Zn2SnO4 Thin Films Prepared by RF Magnetron Sputtering

期刊: RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2018; 12 (3)

Zn2SnO4 (ZTO) is a stable semiconductor in ZnO-SnO2 system and important transparent conducting oxide (TCO) predominantly used in optoelectronic devic......

JIF:0.59

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