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Copper Catalyzed Cycloaddition Reaction of Azidomethyl Benzene With 2,2-Di(prop-2-yn-1-yl)propane-1,3-diol: DFT and QTAIM Investigation
Copper Catalyzed Cycloaddition Reaction of Azidomethyl Benzene With 2,2-Di(prop-2-yn-1-yl)propane-1,3-diol: DFT and QTAIM Investigation

monireh ghiasifar; tayebeh hosseinnejad; Akram Ahangar

Volume 5, Issue 1 , February 2022, , Pages 1-20

https://doi.org/10.22034/pcbr.2022.319090.1203

Abstract
  In this study, the cycloaddition of azidomethyl benzene with 2,2-di(prop-2-yn-1-yl)propane-1,3-diol in the presence of copper catalyst was modeled electronically and thermodynamically ...  Read More
Thermal Conductivity and Anisotropy of Intermolecular Potential Energy in Refrigerant Fluids R125, R134a, R12, R14 and R141b
Thermal Conductivity and Anisotropy of Intermolecular Potential Energy in Refrigerant Fluids R125, R134a, R12, R14 and R141b

fahimeh Moeini; tayebeh hosseinnejad; fatemeh sadat Alavi

Volume 4, Issue 4 , December 2021, , Pages 426-439

https://doi.org/10.22034/pcbr.2021.312188.1200

Abstract
  Refrigerant fluids are widely used to reduce temperature in heat transfer systems and study of the thermal conductivity of these fluids is of great importance in design of heat transformers, ...  Read More