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Journal of Molecular Graphics & Modelling|October 9, 2019
Regioselectivity in nonsymmetric methyl pentyl Pillar[5]arene bound to non-symmetric axlesSulakshana V Athare, Shridhar P GejjiJournal of Molecular Graphics & Modelling|March 6, 2022
Design and synthesis of novel caffeic acid phenethyl ester (CAPE) derivatives and their biological activity studies in glioblastoma multiforme (GBM) cancer cell linesBilgesu Onur Sucu, Elif Beyza Koc, Ozgecan Savlug Ipek, et al.Journal of Molecular Graphics & Modelling|March 12, 2022
End-capped group modification on cyclopentadithiophene based non-fullerene small molecule acceptors for efficient organic solar cells; a DFT approachMuhammad Imran Khan, Javed Iqbal, Sahar Javaid Akram, et al.Journal of Molecular Graphics & Modelling|March 1, 2022
Exploring the metal-free catalytic reduction of CO2 to methanol with saturated adamantane scaffolds of phosphine-borane frustrated Lewis pair: A DFT studyTulsi R Patel, Bishwajit GangulyJournal of Molecular Graphics & Modelling|March 28, 2022
Electronic, magnetic, elastic, thermal and thermoelectric proprieties of Co2MnZ (Z=Al, Ge, Sn)Y El Krimi, R Masrour, A JabarJournal of Molecular Graphics & Modelling|March 30, 2022
Quinoxaline based unfused non-fullerene acceptor molecules with PTB7-Th donor polymer for high performance organic solar cell applicationsMalik Muhammad Asif Iqbal, Muhammad Yasir Mehboob, Muhammad ArshadJournal of Molecular Graphics & Modelling|March 27, 2022
[2]Rotaxane as a switch for molecular electronic memory application: A molecular dynamics studyPeiqiao Wu, Bhushan Dharmadhikari, Prabir Patra, et al.Journal of Molecular Graphics & Modelling|June 30, 2019
Insight into the robust multiple Dirac-cones in perovskite R3¯c phase CuBO3 semimetal from first-principlesY Zhang, Xiaotian Wang, R KhenataJournal of Molecular Graphics & Modelling|August 24, 2018
Molecular dynamics simulations suggest changes in electrostatic interactions as a potential mechanism through which serine phosphorylation inhibits DNA polymerase β activityDirar Homouz, Kwee Hong Joyce-Tan, Mohd ShahirShamsir, et al.Journal of Molecular Graphics & Modelling|September 19, 2018
Temperature dependence of thermodynamic properties of MoS2 monolayer and single-wall nanotubes: Application of the developed three-body force fieldAndrei V Bandura, Sergey I Lukyanov, Robert A EvarestovPageof 408