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

   • Abdiulrsool H. AL-Taher
   • Lafy F. AL-Badry
   • Ebrahim Heidari Semiromi

   STRUCTURE OF CHEMICAL COMPOUNDS, QUANTUM CHEMISTRY, SPECTROSCOPY 08 December 2021 Pages: S1 - S5

   

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

   • Gholamreza Ghane Shalmani
   • Reza Ghiasi
   • Azam Marjani

   STRUCTURE OF CHEMICAL COMPOUNDS, QUANTUM CHEMISTRY, SPECTROSCOPY 08 December 2021 Pages: S6 - S13

   

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

   • Reza Ghiasi
   • Neda Najjari Milani

   STRUCTURE OF CHEMICAL COMPOUNDS, QUANTUM CHEMISTRY, SPECTROSCOPY 08 December 2021 Pages: S14 - S21

   

4. 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
   • M. K. Yadav

   STRUCTURE OF CHEMICAL COMPOUNDS, QUANTUM CHEMISTRY, SPECTROSCOPY 08 December 2021 Pages: S22 - S31

   

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

   • Maria Nikkar
   • Robabeh SayyadikordAbadi
   • Ghasem Ghasemi

   STRUCTURE OF CHEMICAL COMPOUNDS, QUANTUM CHEMISTRY, SPECTROSCOPY 08 December 2021 Pages: S32 - S41

   

6. 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
   • Saeed Ahmad

   STRUCTURE OF CHEMICAL COMPOUNDS, QUANTUM CHEMISTRY, SPECTROSCOPY 08 December 2021 Pages: S42 - S51

   

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

   • Naincy Attri
   • Sudhir K. Singh

   DYNAMICS OF PHASE TRANSITIONS 08 December 2021 Pages: S52 - S67

   

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

   • Han Geurdes
   • Koji Nagata
   • Tadao Nakamura

   PHYSICAL METHODS FOR INVESTIGATION OF CHEMICAL PROCESSES 08 December 2021 Pages: S68 - S80

   

9. Abnormal Molecular Clusters in Pyridine-Ethanol Mixtures under Electric Fields

   • Zhiyan Wu
   • Linqing Zhang
   • Yinhong Liao

   PHYSICAL METHODS FOR INVESTIGATION OF CHEMICAL PROCESSES 08 December 2021 Pages: S81 - S91

   

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

    • E. Kavery
    • G. Vinodha
    • Md. Maksudur Rahman Khan

    PHYSICAL METHODS FOR INVESTIGATION OF CHEMICAL PROCESSES 08 December 2021 Pages: S92 - S101

    

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

    • Yuntian Jing
    • Jie Zhang
    • Gang Chen

    CHEMICAL PHYSICS OF POLYMER MATERIALS 08 December 2021 Pages: S102 - S108

    

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

    • Abbas Khan
    • Muhammad Sajjad
    • Muhammad Humayun

    CHEMICAL PHYSICS OF POLYMER MATERIALS 08 December 2021 Pages: S109 - S119

    

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

    • Faezeh Ghaderi
    • Feridoun Samavat
    • Maryam Kiani

    CHEMICAL PHYSICS OF NANO-MATERIALS 08 December 2021 Pages: S120 - S129

    

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

    • Ali Moghimi
    • Milad Abniki

    CHEMICAL PHYSICS OF NANO-MATERIALS 08 December 2021 Pages: S130 - S139

    

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

    • Samira Bagheri
    • Majid Monajjemi
    • Afshin Taghvamanesh

    CHEMICAL PHYSICS OF NANO-MATERIALS 08 December 2021 Pages: S140 - S148