Contents

Russian Journal of Physical Chemistry B

Vol. 19, No. 3, 2025

ELEMENTARY PHYSICOCHEMICAL PROCESSES

Experimental Study of Rotational Relaxation in H2(1,9) Molecules Induced by Collisions with N2 and H2

M. Yu, J. Liu, Y. Wu, J. Lin, and Y. Zhang p. 521  abstract

STRUCTURE OF CHEMICAL COMPOUNDS, QUANTUM CHEMISTRY, SPECTROSCOPY

First-Principle and Aimd Calculations on Water Dissociation at W8O16/WO3–Oxygen Vacancy Interface

J. Zhang, and S. Pan p. 533  abstract

Synthesis and Characterization of Vanillin Derived Schiff Base Metal Complex of Zinc and Its Anti-Oxidant and Antifungal Activity

V. Nayana Senan, K. S. Beena Kumari, and O. Lekshmy p. 547  abstract

Bulk and Layered MnTe Bandstructure Studies for Solar Cell Applications

D. S. Jayalakshmi, M. Yukesh, and D. Hemanand p. 554  abstract

How the Structural, Electronic and Optical Properties of New Dilute Bismide AlP1–xBix Alloys Change with Bi Composition: Ab-Initio Investigation

R. Alaya, K. Kourchid, K. Alghamdi, M. Mbarki, H. Alghamdi, W. Abdullah, and A. Rebey p. 563  abstract

EFFECT OF EXTERNAL FACTORS ON PHYSICOCHEMICAL CONVERSIONS

A Comparative Investigation of the Effect of an External Electric Field on the Generation of Negative Corona Discharge Plasma in Air with the Application of Finite Element Analysis

E. Poorreza p. 573  abstract

KINETICS AND MECHANISM OF CHEMICAL REACTIONS, CATALYSIS

Rapid Thermal Treatment for Synthesizing ZnO/Zn3N2 Composites with Excellent Photocatalytic Properties

BaoYan Liang, ShiKai Zhao, XinYan Zheng, Cui Lyu Lyu, JiZhou Zhang, YanLi Zhang, QiQuan Li, and MingLi Jiao p. 582  abstract

COMBUSTION, EXPLOSION, AND SHOCK WAVES

Partial Oxidation of Biogas–Simulating CH4–CO2 Mixtures under Adiabatic Compression Conditions

I. V. Bilera p. 589  abstract

ELECTRIC AND MAGNETIC PROPERTIES OF MATERIALS

Effect of Lead Acetate on the Performance of HTM-Free Mesoporous Perovskite Solar Cells with Carbon Electrode

K.-J. Ji, P. Kim, K.-S. Sonu, and J.-H. Ri p. 598  abstract

PHYSICAL METHODS FOR INVESTIGATION OF CHEMICAL PROCESSES

Effects of the Environment and Molecular Additives on the Micellization of Hexadecyltrimethylammonium Bromide

N. Alizadeh, and H. Dezhampanah p. 605  abstract

CHEMICAL PHYSICS OF BIOLOGICAL PROCESSES

Chemical Physics Properties of Lipid Bilayers from Cell Membrane which Causes to Behave as Variable Capacitors: The Resonance of Electromagnetic Radiation with Helical Protein in a Bio-System

S. Shahriari, F. Mollaamin, Z. Rahpeimaei, Y. Shahverdy, and M. Monajjemi p. 613  abstract

Comprehensive Review of Solubility Parameters: Theoretical Foundations, Determination Methods, Pharmaceutical Applications, and Limitations

J. Thimmasetty, S. K. K. Shwetha, S. Sharda, N. N. Shashank, H. Srinivas, S. Bhishambar, and D. Paramita p. 632  abstract

Studying the Electronic Properties of the Intraction between the Anticancer Drug Molecule Gemcitabine and Zigzag (10,0) Single-Walled Carbon Nanotubes Using DFT

M. Kia, S. Alipour, M. H. Pakdaman, and M. Bakrani p. 646  abstract

Thermodynamic and Molecular Dynamic Study of Physical and Chemical Stabilities on Microtubules Structure during Assembling and Disassembling

M. Monajjemi, F. Mollaamin, S. Shahriari, G. Arab, E. Fakhraian, A. Aminkhaki, and Z. Atazadeh p. 656  abstract

CHEMICAL PHYSICS OF ECOLOGICAL PROCESSES

Non-Dispersive IR Gas Analyzer for Monitoring H2O and CO2 Fluxes by Eddy Covariance Method

I. L. Fufurin, Il. S. Golyak, Ig. S. Golyak, D. R. Anfimov, I. B. Vintaykin, P. P. Demkin, Y. D. Karaulova, M. S. Drozdov, A. M. Yaroslavtsev, I. A. Karpov, A. P. Kosterova, S. I. Svetlichnyi, and A. N. Morozov p. 674  abstract

CHEMICAL PHYSICS OF NANOMATERIALS

BN Nanocage as Sensor and Adsorbent for Ochratoxin A: DFT Simulations

P. Niknam Rad, M. R. Jalali Sarvestani, and S. Arabi p. 681  abstract

Comparison between Sodium or Potassium-Ion Batteries and Lithium-Ion Counterparts for Energy-Saving: A Physico-Chemical Study by Density Functional Theory

F. Mollaamin, and M. Monajjemi p. 688  abstract

In Silico Alkali Metals-Based Nanoclusters for Energy Storage: Density of States Studies Towards Modeling of Novel Rechargeable Batteries

F. Mollaamin, and M. Monajjemi p. 701  abstract

Anchoring of H/OH on the ZnO Nanocluster as a Semiconductor: Electronic Properties Evaluation through Surface Adsorption by First Principles Studies

F. Mollaamin, and M. Monajjemi p. 712  abstract

Alkali Metals Doped on Tin-Silicon and Germanium-Silicon Oxides for Energy Storage in Hybrid Biofuel Cells: A First-Principles Study

F. Mollaamin p. 722  abstract

Effect of Rubidium/Cesium Doping on (Lithium, Sodium, Potassium)-Ion Batteries through Germanium Silicon Oxide Anode Materials: An Architectural Design for Energy Storage Devices

F. Mollaamin, and M. Monajjemi p. 737  abstract

REACTIONS ON SURFACE

DFT Modeling of Hydrogen Adsorption on W8O12, W8O16, W8O24 Clusters in Dehydrogenation of Cumene, Ethylbenzole, Propane and Ethane

N. V. Dokhlikova, A. S. Fedotov, and D. Y. Grachev p. 752  abstract

Ozone Modified ZnO for Improved its Photocatalytic Property

X. Y. Zheng, W. X. Zhang, S. K. Zhao, and B. Y. Liang p. 764  abstract

CHEMICAL PHYSICS OF ATMOSPHERIC PHENOMENA

Involvement of Chemical Reactions in Atmospheric Haze Formation

G. B. Pronchev, and A. N. Yermakov p. 770  abstract