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Journal of Molecular Modeling|June 7, 2022
Phosphide in gallium bismuth: structural, electronic, elastic, and optical properties of GaPxBi1-x alloysS Touam, N Mounis, A Boumaza, et al.Journal of Molecular Modeling|June 8, 2022
CO2 capture and a route to transform it in formic acid: a theoretical approachCitlalli Rios, Roberto SalcedoJournal of Molecular Modeling|June 21, 2022
Theoretical assessments and optical and electrochemical properties of the alkoxylated bischalcone as emissive material in single-layer OLEDSyaharil Saidin, Wan M Khairul, Rafizah Rahamathullah, et al.Journal of Molecular Modeling|November 28, 2022
Study of optical absorption cross-section spectra and high-order harmonic generation of thymine, thymine glycol, and thymine dimer moleculesFatemeh Mohammadtabar, Reza Rajaie Khorasani, Hossein Mohammadi-Manesh, et al.Journal of Molecular Modeling|November 29, 2022
Single-layered fluorinated graphene nanopores for H2/CH4 and H2/CO2 separation with high efficiency and selectivityTian Wang, Lu Liu, Jose Manuel Perez-Aguilar, et al.Journal of Molecular Modeling|November 30, 2022
Simulation and experimental study on the incompatibility issue between ADN and isocyanateNasser SheibaniJournal of Molecular Modeling|June 10, 2022
Theoretical study on BTF-based cocrystals: effect of external electric fieldRenfa Zhang, Wenxin Xia, Xiaosong Xu, et al.Journal of Molecular Modeling|November 25, 2022
Cancer regulator EGFR-ErbB4 heterodimer is stabilized through glycans at the dimeric interfaceZahra Motamedi, Mehri Shahsavari, Hassan Rajabi-Maham, et al.Journal of Molecular Modeling|June 18, 2022
Repurposing benzbromarone as antifolate to develop novel antifungal therapy for Candida albicansSomdutt Mujwar, Avanish TripathiJournal of Molecular Modeling|July 11, 2022
Trifluoromethyl-stabilized 2D nitrogen clusters: a theoretical studyWilmer Esteban Vallejo Narváez, Cesar Gabriel Vera de la Garza, Luis Daniel Solís Rodríguez, et al.Pageof 696