Physical Chemistry

This section publishes articles in all areas of physical chemistry including catalysis, chemical kinetics, chemical physics, thermodynamics, quantum chemistry, surfaces and interfaces, electrochemistry, and photochemistry.

Section Editor: Debra Banville

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  1. Research Article

    Structure-dependent optoelectronic properties of perylene, di-indenoperylene (DIP) isolated molecule and DIP molecular crystal

    Theoretical simulations were designed by first principles approach of density functional theory to investigate the structural and optoelectronic properties of different structural classes of perylene; isolated...

    Mazmira Mohamad, Rashid Ahmed, Amirudin Shaari and Souraya Goumri-Said

    Chemistry Central Journal 2017 11:125

    Published on: 2 December 2017

  2. Research article

    Structural effects on kinetics and a mechanistic investigation of the reaction between DMAD and N–H heterocyclic compound in the presence of triphenylarsine: spectrophotometry approach

    Kinetics and a mechanistic investigation of the reaction between dimethyl acetylenedicarboxcylate (DMAD) and saccharin (NH heterocyclic compound) has been spectrally studied in methanol environment in the presen...

    Sayyed Mostafa Habibi-Khorassani, Mehdi Shahraki and Mahdieh Darijani

    Chemistry Central Journal 2017 11:71

    Published on: 1 August 2017

  3. Research article

    Morphologically controlled synthesis of ferric oxide nano/micro particles and their catalytic application in dry and wet media: a new approach

    Morphologically controlled synthesis of ferric oxide nano/micro particles has been carried out by using solvothermal route. Structural characterization displays that the predominant morphologies are porous hol...

    Muhammad Ramzan Saeed Ashraf Janjua, Saba Jamil, Nazish Jahan, Shanza Rauf Khan and Saima Mirza

    Chemistry Central Journal 2017 11:49

    Published on: 31 May 2017

  4. Research article

    Synthesis, spectroscopic, dielectric, molecular docking and DFT studies of (3E)-3-(4-methylbenzylidene)-3,4-dihydro-2H-chromen-2-one: an anticancer agent

    Coumarin (2H-chromen-2-one) and its derivatives have a wide range of biological and pharmaceutical activities. They possess antitumor, anti-HIV, anticoagulant, antimicrobial, antioxidant, and anti-inflammatory ac...

    T. Beena, L. Sudha, A. Nataraj, V. Balachandran, D. Kannan and M. N. Ponnuswamy

    Chemistry Central Journal 2017 11:6

    Published on: 10 January 2017

  5. Research article

    DFT and TD-DFT calculation of new thienopyrazine-based small molecules for organic solar cells

    Novel six organic donor-π-acceptor molecules (D-π-A) used for Bulk Heterojunction organic solar cells (BHJ), based on thienopyrazine were studied by density functional theory (DFT) and time-dependent DFT (TD-D...

    Mohamed Bourass, Adil Touimi Benjelloun, Mohammed Benzakour, Mohammed Mcharfi, Mohammed Hamidi, Si Mohamed Bouzzine and Mohammed Bouachrine

    Chemistry Central Journal 2016 10:67

    Published on: 27 October 2016

  6. Research article

    Investigation on the self-association of an inorganic coordination compound with biological activity (Casiopeína III-ia) in aqueous solution

    From studies using different experimental techniques employed to determine the presence of aggregates e.g. isothermal titration calorimetry, surface tension, electrical conductivity, UV–Vis spectrophotometry, ...

    Alejandro Marín-Medina, Juan Carlos García-Ramos, Lena Ruíz-Azuara and Ernesto Carrillo-Nava

    Chemistry Central Journal 2016 10:65

    Published on: 21 October 2016

  7. Short report

    Synthesis, inhibition effects and quantum chemical studies of a novel coumarin derivative on the corrosion of mild steel in a hydrochloric acid solution

    The acid corrosion inhibition process of mild steel in 1 M HCl by 4-[(2-amino-1, 3, 4-thiadiazol-5-yl)methoxy]coumarin (ATC), has been investigated using weight loss technique and scanning electron microscopy ...

    Khalida F. Al-Azawi, Shaimaa B. Al-Baghdadi, Ayad Z. Mohamed, Ahmed A. Al-Amiery, Talib K. Abed, Salam A. Mohammed, Abdul Amir H. Kadhum and Abu Bakar Mohamad

    Chemistry Central Journal 2016 10:23

    Published on: 27 April 2016

  8. Research article

    A comparative study of electrochemical oxidation of methidation organophosphorous pesticide on SnO2 and boron-doped diamond anodes

    Electrochemical oxidation considered to be among the best methods in waste water desalination and removing toxic metals and organic pesticides from wastewater like Methidathion. The objective of this work is t...

    Fatima Hachami, Mohamed Errami, Lahcen Bazzi, Mustapha Hilali, Rachid Salghi, Shehdeh Jodeh, Belkheir Hammouti and Othman A. Hamed

    Chemistry Central Journal 2015 9:59

    Published on: 16 October 2015

  9. Review

    Charge density analysis for crystal engineering

    This review reports on the application of charge density analysis in the field of crystal engineering, which is one of the most growing and productive areas of the entire field of crystallography.

    Anna Krawczuk and Piero Macchi

    Chemistry Central Journal 2014 8:68

    Published on: 16 December 2014

  10. Research article

    Quantum chemical assessment of benzimidazole derivatives as corrosion inhibitors

    The majority of well-known inhibitors are organic compounds containing multiple bonds and heteroatoms, such as O, N or S, which allow adsorption onto the metal surface. These compounds can adsorb onto the meta...

    Hasan R Obayes, Ghadah H Alwan, Abdul Hameed MJ Alobaidy, Ahmed A Al-Amiery, Abdul Amir H Kadhum and Abu Bakar Mohamad

    Chemistry Central Journal 2014 8:21

    Published on: 27 March 2014

  11. Research article

    Optimizing Bi2O3 and TiO2to achieve the maximum non-linear electrical property of ZnO low voltage varistor

    In fabrication of ZnO-based low voltage varistor, Bi2O3 and TiO2 have been used as former and grain growth enhancer factors respectively. Therefore, the molar ratio of the factors is quit important in the fabrica...

    Yadollah Abdollahi, Azmi Zakaria, Raba’ah Syahidah Aziz, Siti Norazilah Ahmad Tamili, Khamirul Amin Matori, Nuraine Mariana Mohd Shahrani, Nurhidayati Mohd Sidek, Masoumeh Dorraj and Seyedehmaryam Moosavi

    Chemistry Central Journal 2013 7:137

    Published on: 10 August 2013

  12. Research article

    Revealing water’s secrets: deuterium depleted water

    The anomalous properties of water have been of great interest for generations of scientists. However the impact of small amount of deuterium content which is always present in water has never been explored bef...

    Vladyslav V Goncharuk, Alina A Kavitskaya, Iryna Yu Romanyukina and Oleksandr A Loboda

    Chemistry Central Journal 2013 7:103

    Published on: 17 June 2013

  13. Research article

    Artificial neural network modeling of p-cresol photodegradation

    The complexity of reactions and kinetic is the current problem of photodegradation processes. Recently, artificial neural networks have been widely used to solve the problems because of their reliable, robust,...

    Yadollah Abdollahi, Azmi Zakaria, Mina Abbasiyannejad, Hamid Reza Fard Masoumi, Mansour Ghaffari Moghaddam, Khamirul Amin Matori, Hossein Jahangirian and Ashkan Keshavarzi

    Chemistry Central Journal 2013 7:96

    Published on: 3 June 2013

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