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  1. No Access

    Article

    Computational Studies on the Mo-Doped Gold Nanoclusters Au n Mo(n = 1–10): Structures, Stabilities and Magnetic Properties

    The geometric structures, relative stabilities, magnetic properties of Mo-doped gold clusters Au n Mo(n = 1–10) have been investigated at the PBE1PBE/def2TZVP level of theory. Th...

    Jia Cao, Qi Li, Zhi **ang Wang, Lou Jun Gao, Feng Fu, Bo Fan… in Journal of Cluster Science (2016)

  2. No Access

    Article

    Water-assisted isomerization of the [H, C, N, O] system

    Ten minima of [H, C, N, O] isomers were investigated in gas phase and water solution using the polarizable continuum model at the CCSD(T)//M06-2X/6–311 + G(3df,2p) level of theory. The results show that the st...

    Jia Cao, Zhi **ang Wang, Lou Jun Gao, Feng Fu in Journal of Molecular Modeling (2015)

  3. No Access

    Article

    Atmospheric nucleation precursors catalyzed isomerization of CH2SH to CH3S: mechanisms and topological analysis

    The isomerization of CH2SH to CH3S in the absence and presence of atmospheric nucleation precursors (H2O, HCOOH, and H2SO4) has been investigated at the G3XMP2//B3LYP/6–311+G(3df,2p) level. It is shown that the b...

    Jia Cao, Zhi **ang Wang, Lou Jun Gao, Feng Fu in Structural Chemistry (2015)

  4. Article

    Erratum to: “Assembly and characterization of Ag nanoparticles in PAM-g- PVA/PVP semi-interpenetrating network hydrogels”

    Qing-Bo Wei, Yan-Ling Luo, Feng Fu, Lou-Jun Gao, Yan-Wei Song in Colloid Journal (2013)

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  5. No Access

    Article

    Assembly and characterization of Ag nanoparticles in PAM-g-PVA/PVP semi-interpenetrating network hydrogels

    Polyacrylamide grafted poly(vinyl alcohol)/polyvinylpyrrolidone (PAM-g-PVA/PVP) semi-interpenetrating network (semi-IPN) hydrogels were designed and prepared via a simple free radical polymerization reaction proc...

    Qing-Bo Wie, Yan-Ling Luo, Feng Fu, Lou-Jun Gao, Yan-Wei Song in Colloid Journal (2013)

  6. No Access

    Article

    Synthesis, characterization and swelling kinetics of thermoresponsive PAM-g-PVA/PVP semi-IPN hydrogels

    Polyacrylamide grafted poly(vinyl alcohol)/polyvinylpyrrolidone (PAM-g-PVA/PVP) semi-interpenetrating polymer network (semi-IPN) hydrogels were designed and prepared via a simple free radical polymerization route...

    Qing-Bo Wei, Yan-Ling Luo, Lou-Jun Gao, Qiao Wang, Dan-Jun Wang in Polymer Science Series A (2011)