International Journal of Computational and Theoretical Chemistry

Volume 9, Issue 2, December 2021

  • Effects of Integrated Use of Lime and Nitrogen Fertilizer Rate on Maize (Zea mays l.) Crop and Its Profitability on Nitisols, Ethiopia

    Birtukan Amare Kebede, Eyayu Molla Fetene, Yihenew Gebreselassie Mengesha, Habtamu Tadele Belay, Tesfaye Bayu Zeleke

    Issue: Volume 9, Issue 2, December 2021
    Pages: 19-31
    Received: 2 June 2021
    Accepted: 9 July 2021
    Published: 4 August 2021
    Abstract: In the highlands of Ethiopia soil acidity is the limiting factor for crop production due to leaching effects of basic cations, nutrient loss by erosion, crop residue removal from farmland and other human induced factors. This study was carried out at Burie district to determine the effect of integrated use of lime and nitrogen fertilizer rate on yi... Show More
  • Toward Bottom-up Optoelectronic Design of Increasing Fluorination Low Bandgap in PDTPQX-types Copolymers for Organic Photovoltaics Devices

    Simplice Koudjina, Affi Sopi Thomas, René Sawadogo, Nobel Kouakou N’Guessan, Wilfried Gbèdodé Kanhounnon, Gaston Assongba Kpotin, Guy Yacolé Sylvain Atohoun

    Issue: Volume 9, Issue 2, December 2021
    Pages: 32-42
    Received: 2 August 2021
    Accepted: 13 August 2021
    Published: 9 September 2021
    Abstract: Organic photovoltaic performance has been investigated about the fluorination effects as one part on the optoelectronic properties. The quantum chemical accuracy of the optoelectronic and structural properties based on D-A (Donor-Acceptor) conjugated copolymers as PDTPQX-type (Poly-dithieno-pyrrol-Quinoxaline) has been tediously exposed. The Donor-... Show More
  • Determination of Ethanol in Wine and Distilled Alcoholic Beverages Using a Smartphone as a Detector

    Anita Martinovic Bevanda, Anita Ivankovic, Stanislava Talic, Antonio Stipanovic, Danijela Petrovic

    Issue: Volume 9, Issue 2, December 2021
    Pages: 43-47
    Received: 30 September 2021
    Accepted: 14 October 2021
    Published: 28 October 2021
    Abstract: This paper describes the application of a smartphone as a detector in the determination of ethanol in distilled beverages. Digital image analysis as an analytical tool is a reality nowadays, and the use of smartphones stands out due to its high accessibility and practicality. The aim is to determine ethanol in distilled beverages using two cheap an... Show More