Contents

Russian Journal of Physical Chemistry A


Vol. 96, No. 14, 2022


Problems, Tendencies in Development, and Challenges in Physical Chemistry

Co-Conversion of CO2 and CH4 to High Value-Added Oxygenated Chemicals

Lifang Hu, Jun Wang, Jichao Zhu, Xianyun Zheng, Xin He and Jie He p. 3049  abstract


Chemical Thermodynamics and Thermochemistry

Temperature Sensing Performance of Fluorescent Carbon Quantum Dots Prepared from Loblolly Pine Processing Waste

Miaoyan Hu, Dingmeng Guo, Jun Tang, Kai Liu, Hailan Lian, Changyan Xu, Li Xu and Wenqing Zhang p. 3070  abstract


Chemical Kinetics and Catalysis

Inhibitory Kinetic Approach for the Rapid Micro-Level Quantification of N-Acetylcysteine

Abhishek Srivastava, Neetu Srivastava, Krishna Srivastava, Radhey Mohan Naik and Anupam Srivastava p. 3082  abstract

Theoretical Studies of Rate Constant and Anharmonic Effect of Unimolecular Steps in Reaction C3H6 + OH

Luo Lei, Che Li, Xia Wenwen, Yao Li and Yu Hongjing p. 3090  abstract

Study on Photocatalytic Activity of Cage-Like PAM/YMnO3 Composite Photocatalyst

Xiaoyan Zhang, Xiaohong Liu, Yanfeng Wang, Beibei Tong and Junle Zhang p. 3103  abstract

Catalytic Activity of Porous Polyacrylamide/SrAl2O4 Composite Phosphors

Beibei Tong, Bingwei Wang, Jin Wang and Xiaoyan Zhang p. 3111  abstract

Porous NiCu Nanoarrays Decorated by Hydr(oxy)oxides As Highly Active Catalyst for Hydrogen Evolution Reaction

Gaoli Lan, Zihao Liang, Min Deng, Min He, Hongliang Yi, Xiaoqi Zhu, Hui Zhang, Xin Chen and Xingbo Ge p. 3119  abstract

Architectural Designing of TiMCM-48 with Methyl Group for Effective Oxidation of Cyclohexene

Sushanta Kumar Roy, Debajani Dutta and Anup Kumar Talukdar p. 3126  abstract


Physical Chemistry of Solutions

Volumetric and Viscometric Approach to Understand Molecular Interactions of Tetra-n-propylammonium Bromide in Water and Aqueous Mixtures of 1,3-Dioxolane and Tetrahydrofuran at Different Temperatures

Braja B. Nanda and Malabika Talukdar p. 3135  abstract


Structure of Matter and Quantum Chemistry

Characterization of Inclusion Interaction between Acylsulfonamide and β-Cyclodextrin: Experimentally and Molecular Modeling Studies

Khalil Sahra, Mekki Kadri, Malika Berredjem and Anne Milet p. 3149  abstract

Comparison of LANL2DZ and SBKJC Basis Sets, over DFT Calculations of a Typical Half-Sandwich Ruthenium Complex

Nil Ertekin Binbay p. 3161  abstract

Effect of Oxygen Reduction Reaction on Pt/Pd3Fe (111) Alloy Electrocatalyst: A DFT Study

Shakiba Sadeghian and Mahmoud Jafari p. 3170  abstract

Theoretical Insight into Optoelectronic Properties of All-Inorganic Copper-Based Perovskite Derivatives Cs2CuXCl6 (X = As, Sb, and Bi)

Tao Zuo, Fangfang Qi, ChiYung Yam, Shanshan Jiang, Mingxue Yang, Ming-Long Zhong and Lingyi Meng p. 3179  abstract

Crystallization, Rheological and Thermally Conductive Behaviors of Polymethyl Methacrylate/Recycled Polyethylene Terephthalate Blends: An Evolutional Study Based upon Hierarchically Structural Analysis

Bin Yang, Yingying Wang, Liangyong He, Yong Xie, Wei Wu, Xinya Chen, Ran Zhu, Yuchao Ke, Lifen Su, Jiasheng Qian, Ru Xia, Yi Fang and Tao Jiang p. 3186  abstract

Contribution of Nitrogen Heteroatom to Anion-π Interaction of N-Heterocyclic Anthracene ${{{\text{C}}}_{{14--2m}}}{{{\text{H}}}_{{10--2m}}}{{{\text{N}}}_{{2m}}}$ (m = 1, 2, and 3) with Chloride Anion

Shuangli Du, Bingqiang Wang, Huan Zhang, Wenfei Tao and Yuhui Qin p. 3195  abstract

Properties of Polyborate Ions by DFT Calculation

W. Q. Zhang, Y. Q. Zhou, C. H. Fang, W. Li, F. Y. Zhu, H. Y. Liu, Y. Lv, G. G. Pang, N. Shan, Y. Y. Zhang, K. Bao, X. Y. Guo and M. X. Xiao p. 3201  abstract


Physical Chemistry of Nanoclusters, Supramolecular Structures, and Nanomaterials

Methyl Red Adsorption on Pristine and Al and Ga-Doped (6, 0) and (7, 0) Zigzag BNNTs: A DFT Study

Ali Reza Hanafi and Mohammad Reza Zardoost p. 3209  abstract

Effect of Ni-Doping on the Hydrogen Storage Properties of Nanoscale MgH2

Yuqin Meng, Chunlan Zhao and Hongshan Chen p. 3220  abstract


Physical Chemistry of Dispersed Systems and Surface Phenomena

Removal of Dye by Adsorption on Nitric Acid Treated Sugar Bagasse Wastes, an Experimentally, Theoretically, and Computational Studies

Hussein S. Mohamed, Wael Z. Tawfik, Zeinab S. Hamza, Yasmeen R. Kfafy, Ashraf A. El-Bassuony, Sayed A. Ahmed, H. R. Abd El-Mageed and N. K. Soliman p. 3232  abstract

Kinetic Studies of Fe(III) Adsorption by Mordenite in a Batch System

Debajani Dutta, Sushanta Kumar Roy and Anup K. Talukdar p. 3244  abstract


Electrochemistry. Generation and Storage of Energy from Renewable Sources

Synthesis of Optical and Electrochemical Studies on 3-Cyano-2-indolyl Quinoline Derivatives

A. Hariharan, K. Subramanian, K. Dinakaran, K. Balaji, M. Alagar and T. Lakshmikandhan p. 3251  abstract

Study on the Performance of MoO3–Li Ion Full Battery

Y. Z. Song, B. X. Qi and J. M. Xie p. 3258  abstract


Photochemistry, Magnetochemistry, Mechanochemistry

Fluorinated and Bayberry Tannin Modified Titanium Dioxide and Its Photocatalytic Performance

Li-Yuan Zhang, Jin-Ju Yang, Bing-Qian Zhou and Xiu Huang p. 3264  abstract

Photocatalytic Degradation Process of Bisacodyl Using Fe3O4@ZnO Core-Shell Nanocomposite

Amin Dadras Mahboob and Razieh Sanavi Khoshnood p. 3274  abstract

First-Principles Study of Two-Dimensional Layered MoSi2N4 and WSi2N4 for Photocatalytic Water Splitting

Kun Liao, Xiao-Ai Yi, Yi-Xuan Li, Zong-Ji Huang, Qian-Qian Deng and Ying-Jun Gao p. 3283  abstract


Biophysical Chemistry and Physical and Chemical Biology

Computational Investigation of Deoxyribose and Phosphate Substitutions Effects on the Hydrogen Bond Strength of Adenine–Thymine Base Pair in the Gas Phase and Water Solution

Fahimeh Akbari, Alireza Nowroozi and Ali Ebrahimi p. 3290  abstract

Solvatochromic Effect and Spectral Study on Activity of Anti-Cancer Drug Mercaptopurine in Green Solvents

Mahsa Mahmoudi Karamjavan, Karim Zare, Alireza Monadi Sefida, Maziar Noei and Ali Farajtabar p. 3303  abstract

Impact of Drug Repurposing on SARS-Cov-2 Main Protease

Umar Ndagi, Maryam Abdullahi, Asmau N. Hamza, Mohd G. Magaji, Ndumiso N. Mhlongo, Makun Babazhitsu, Hussaini Majiya, Hussaini Anthony Makun and Monsurat M. Lawal p. 3311  abstract