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Journal of Molecular Modeling|February 15, 2018
Structural and functional characterization of the Vindoline biosynthesis pathway enzymes of Catharanthus roseusBilal Ahmad, Anindyajit Banerjee, Harshita Tiwari, et al.
Journal of Molecular Modeling|November 23, 2017
Fractional nuclear charge approach to isolated anion densities for Hirshfeld partitioning methodsFarnaz Heidar-Zadeh, Paul W Ayers, Patrick Bultinck
Journal of Molecular Modeling|February 23, 2018
Theoretical investigation of the use of nanocages with an adsorbed halogen atom as anode materials in metal-ion batteriesRazieh Razavi, Seyyed Milad Abrishamifar, Gholamreza Ebrahimzadeh Rajaei, et al.
Journal of Molecular Modeling|January 18, 2023
A comprehensive correlated analysis of Ra-Doped (ZnO2, ZnO) for optoelectronic applications: a first-principle studyMuhammad Moin, Abdul Waheed Anwar, Anwar Ali, et al.
Journal of Molecular Modeling|January 19, 2023
Molecular engineering on D-π-A organic dyes with flavone-based different acceptors for highly efficient dye-sensitized solar cells using experimental and computational studyArunkumar Ammasi, Ragavan Iruthayaraj, Anbarasan Ponnusamy Munusamy, et al.
Journal of Molecular Modeling|January 19, 2023
Application of zinc oxide nano-tube as drug-delivery vehicles of anticancer drugMustafa M Kadhim, Taleeb Zedan Taban, Sallalh Ahmed Abdullaha, et al.
Journal of Molecular Modeling|January 19, 2023
Hydrogen physisorption on the (BeO)n, B2H4(Be,Ti), and B6Ti3 metal clusters: a computational study of energies and atomic chargesL C Vasconcellos, E F V de Carvalho, O Roberto-Neto
Journal of Molecular Modeling|September 27, 2002
NMR spectroscopic and theoretical study of the complexation of the inhibitor allosamidin in the binding pocket of the plant chitinase hevamineAntje Germer, Sabrina Klod, Martin G Peter, et al.
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