Contents

Russian Journal of Physical Chemistry B

Vol. 15, Suppl. 1, 2021

Structure of Chemical Compounds, Quantum Chemistry, Spectroscopy

Improvement of the Optoelectronic Properties of Terazulene Molecules for Organic Solar Cell Applications

Abdiulrsool H. AL-Taher, Lafy F. AL-Badry and Ebrahim Heidari Semiromi p. S1  abstract

EDA, CDA and QTAIM Investigations in the (para-C5H4X) Ir(PH3)3 Iridabenzene Complexes

Gholamreza Ghane Shalmani, Reza Ghiasi and Azam Marjani p. S6  abstract

Exploring of the Solvent Effect on the Electronic Structure and 14N NMR Chemical Shift of Cyclic-N3S3Cl3: A Computational Investigation

Reza Ghiasi and Neda Najjari Milani p. S14  abstract

Optimized Molecular Geometries, Internal Coordinates, Vibrational Analysis, Thermodynamic Properties, First Hyperpolarizability and HOMO–LUMO Analysis of Duroquinone Using Density Functional Theory and Hartree–Fock Method

Sarvendra Kumar, Surbhi and M. K. Yadav p. S22  abstract

Monte Carlo Method and a Novel Modelling-Optimization Approach on QSAR Study of Doxazolidine Drugs and DNA-Binding

Maria Nikkar, Robabeh SayyadikordAbadi, Asghar Alizadehdakhel and Ghasem Ghasemi p. S32  abstract

DFT Calculations and SEM–EDX Analysis of Copper(II)-Azide Complexes; [Cu(en)2(N3)2] and [Cu(Tmen)(N3)2]2 (Tmen = N,N,N',N'-Tetramethylethylenediamine)

Abdul Ghaffar, Sidra Nawaz, Aisha Munawar, Wiktor Zierkiewicz, Mariusz Michalczyk, Katarzyna Helios, Syed Zajif Hussain, Abdul Rashid and Saeed Ahmad p. S42  abstract

Dynamics of Phase Transitions

Estimation of Pore Critical Temperature of Nanoconfined Alkanes Using Vapour-Liquid Interfacial Free Energy

Naincy Attri and Sudhir K. Singh p. S52  abstract

Physical Methods for Investigation of Chemical Processes

The CHSH Bell Inequality: A Critical Look at Its Mathematics and Some Consequences for Physical Chemistry

Han Geurdes, Koji Nagata and Tadao Nakamura p. S68  abstract

Abnormal Molecular Clusters in Pyridine-Ethanol Mixtures under Electric Fields

Zhiyan Wu, Linqing Zhang and Yinhong Liao p. S81  abstract

A Combined Experimental and Theoretical Investigation of Perylene Based Dyes as Sensitizer for Dye-Sensitized Solar Cell

E. Kavery, G. Vinodha, S. Prabhu, R. Renganathan, Chin Sim Yee and Md. Maksudur Rahman Khan p. S92  abstract

Chemical Physics of Polymer Materials

Preparation and Evaluation of Ammonium-Succinic Salts as Shale Swelling Inhibitor and Its Application in Water-Based Drilling Fluids

Yuntian Jing, Jie Zhang, Weimin Hu, Weichao Du, Juan Xie, Chengtun Qu and Gang Chen p. S102  abstract

Preparation, Physicochemical and Rheological Studies of Stimuli-Responsive Biodegradable Polymer Gels

Abbas Khan, Muhammad Sajjad, Luqman Ali Shah and Muhammad Humayun p. S109  abstract

Chemical Physics of Nano-Materials

Physical Properties of Au/Pd-on-glass Thin Films on Glasses Prepared by Electron Beam Evaporation

Faezeh Ghaderi, Feridoun Samavat, Majid Jafar Tafreshi and Maryam Kiani p. S120  abstract

Dispersive Solid-Phase Extraction for Bromocresol Green Removal with β-Cyclodextrin Functionalized Magnetic Nanotubes

Ali Moghimi and Milad Abniki p. S130  abstract

Increasing the Performance of Cathode Material in Alkaline (Li, Na and K) Ion Battersis: Synthesis and Characterization

Samira Bagheri, Majid Monajjemi, Alireza Ziglari and Afshin Taghvamanesh p. S140  abstract