Search Results - Marlina, Lala Adetia

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  1. 1
    Theoretical studies on structure and dynamics of anatase TiO2 (101)/H2SO4/H2O interface in the early stage of titania sulfation

    Theoretical studies on structure and dynamics of anatase TiO2 (101)/H2SO4/H2O interface in the early stage of titania sulfation by Afifah, Debi Nur, Marlina, Lala Adetia, Hutama, Aulia Sukma, Wijaya, Karna

    Published in Structural chemistry
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  2. 2
    Performance of density functional theory for calculating the electronic, static, and dynamic nonlinear optical properties of asymmetric (3E,5E)-3,5-dibenzylidene-piperidin-4-one derivatives

    Performance of density functional theory for calculating the electronic, static, and dynamic nonlinear optical properties of asymmetric (3E,5E)-3,5-dibenzylidene-piperidin-4-one de... by Marlina, Lala Adetia, Hutama, Aulia Sukma, Zanah, Septiana Nur, Pradipta, Mokhammad Fajar, Sari, Wilin Julian, Saputri, Wahyu Dita

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  3. 3
    Development of Density-Functional Tight-Binding Parameters for the Molecular Dynamics Simulation of Zirconia, Yttria, and Yttria-Stabilized Zirconia

    Development of Density-Functional Tight-Binding Parameters for the Molecular Dynamics Simulation of Zirconia, Yttria, and Yttria-Stabilized Zirconia by Hutama, Aulia Sukma, Marlina, Lala Adetia, Chou, Chien-Pin, Irle, Stephan, Hofer, Thomas S

    Published in ACS omega
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  4. 4
    Role of Main Group Nonmetal Dopants on the Electronic Properties of the TcS2 Monolayer Revealed by Density Functional Theory

    Role of Main Group Nonmetal Dopants on the Electronic Properties of the TcS2 Monolayer Revealed by Density Functional Theory by Widya, Marlina, Lala Adetia, Hutama, Aulia Sukma, Prasetyo, Niko

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  5. 5
    Molecular design of benzo[c][1,2,5]thiadiazole or thieno[3,4-d]pyridazine-based auxiliary acceptors through different anchoring groups in D-π-A-A framework: A DFT/TD-DFT study

    Molecular design of benzo[c][1,2,5]thiadiazole or thieno[3,4-d]pyridazine-based auxiliary acceptors through different anchoring groups in D-π-A-A framework: A DFT/TD-DFT study by Marlina, Lala Adetia, Haryadi, Winarto, Daengngern, Rathawat, Pranowo, Harno Dwi

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  6. 6
    Exploring the potential of metalloporphyrin-like C54N4 fullerene (TM-PC60F) nanoclusters as new drug delivery platform for 5-fluorouracil: A DFT and QTAIM study

    Exploring the potential of metalloporphyrin-like C54N4 fullerene (TM-PC60F) nanoclusters as new drug delivery platform for 5-fluorouracil: A DFT and QTAIM study by Marlina, Lala Adetia, Hutama, Aulia Sukma, Arief, Ihsanul, Mazaya, Maulida, Syafarina, Inna, Saputri, Wahyu Dita

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  7. 7
    Atmospheric Degradation Mechanism of Isoamyl Acetate Initiated by OH Radicals and Cl Atoms Revealed by Quantum Chemical Calculations and Kinetic Modeling

    Atmospheric Degradation Mechanism of Isoamyl Acetate Initiated by OH Radicals and Cl Atoms Revealed by Quantum Chemical Calculations and Kinetic Modeling by Hutama, Aulia Sukma, Marlina, Lala Adetia, Akram, Muhammad Bahy, Wijaya, Karna, Sari, Reka Mustika, Saputri, Wahyu Dita

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  8. 8
    Design of a D-π-A-A framework with various auxiliary acceptors on optoelectronic and charge transfer properties for efficient dyes in DSSCs: A DFT/TD-DFT study

    Design of a D-π-A-A framework with various auxiliary acceptors on optoelectronic and charge transfer properties for efficient dyes in DSSCs: A DFT/TD-DFT study by Marlina, Lala Adetia, Haryadi, Winarto, Pranowo, Harno Dwi

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  9. 9
    Investigations of the influence of non-metal dopants on the electronic and photocatalytic properties of ZrTiO4 by density functional theory calculations

    Investigations of the influence of non-metal dopants on the electronic and photocatalytic properties of ZrTiO4 by density functional theory calculations by Fawrin, Heralda, Marlina, Lala Adetia, Hutama, Aulia Sukma, Trisunaryanti, Wega

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  10. 10
    Theoretical studies on structure and dynamics of anatase TiO.sub.2 /H.sub.2SO.sub.4/H.sub.2O interface in the early stage of titania sulfation

    Theoretical studies on structure and dynamics of anatase TiO.sub.2 /H.sub.2SO.sub.4/H.sub.2O interface in the early stage of titania sulfation by Afifah, Debi Nur, Marlina, Lala Adetia, Hutama, Aulia Sukma, Wijaya, Karna

    Published in Structural chemistry
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