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43 ta ish

Ish: A theoretical study on adsorption and sensing of SO2, CS2, CO2, CH2O, H2O, C2H2, and CF3H air pollutant gases by B3S monolayer

  1. Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

    Chengteh Lee, Weitao Yang, Robert G. Parr

    Maqola198884 iqtibos
    ABI

  2. Environmental and Health Impacts of Air Pollution: A Review

    Ioannis Manisalidis, Elisavet Stavropoulou, Agathangelos Stavropoulos +1

    Sharh maqola202015 iqtibos
    ABI

  3. Natural bond orbital analysis: A critical overview of relationships to alternative bonding perspectives

    Frank Weinhold

    Maqola20127 iqtibos
    ABI

  4. Adsorption of melphalan anticancer drug on C24, B12N12, B12C6N6, B6C12N12 and B6C6N12 nanocages: A comparative DFT study

    Christian A. Celaya, Luis Felipe Hernández‐Ayala, Fernando Buendía +2

    Maqola20216 iqtibos
    ABI

  5. Investigating the adsorption, electronic properties, and gas-sensing responses of NH3 on the B3S monolayer

    Mohamed J. Saadh, Sura Mohammad Mohealdeen, Nelly Esther Flores Tapia +5

    Maqola20236 iqtibos
    ABI

  6. The B3S monolayer as a two-dimensional material for seeing of HCHO molecules as environmental and water pollutants

    Yuan Li, Yu Fang, Weiqing Ning +6

    Maqola20246 iqtibos
    ABI

  7. Effective Molecular Descriptors for Chemical Accuracy at DFT Cost: Fragmentation, Error-Cancellation, and Machine Learning

    Eric M. Collins, Krishnan Raghavachari

    Maqola20205 iqtibos
    ABI

  8. A machine learning scheme for the catalytic activity of alloys with intrinsic descriptors

    Ze Yang, Wang Gao, Qing Jiang

    Maqola20205 iqtibos
    ABI

  9. Selective Sensing Characteristics of Ca Doped BeO Nano-sized Tube toward H2O and NH3

    Maziar Noei, Vahid Zare-Shahabadi, Seyedeh Najmeh Razi

    Maqola20134 iqtibos
    ABI

  10. RETRACTED: Therapeutic Potential of B <sub>12</sub> N <sub>12</sub> -X (X = Au, Os, and Pt) Nanostructured as Effective Fluorouracil (5Fu) Drug Delivery Materials

    Kelechi Chukwuemeka, Hitler Louis, Innocent Benjamin +4

    Maqola20234 iqtibos
    ABI

  11. Beryllium oxide nano-cage as sorbent and sensor for formaldehyde gas: DFT-D3 calculations

    H.M. Badran, Kh.M. Eid, H.O. Al-Nadary +1

    Maqola20234 iqtibos
    ABI

  12. Interpretations and DFT Calculations for Polypropylene/Cupper Oxide Nanosphere

    Mohamed G. El‐Desouky, M. Abd El–Wahab, A.A. El-Bindary +97

    Maqola20213 iqtibos
    ABI

  13. Adverse health effects of outdoor air pollutants

    Luke Curtis, William Rea, Patricia Smith-Willis +2

    Sharh maqola20062 iqtibos
    ABI

  14. Effects of air pollution on human health and practical measures for prevention in Iran

    Adel Ghorani‐Azam, Bamdad Riahi‐Zanjani, Mahdi Balali‐Mood

    Sharh maqola20162 iqtibos
    ABI

  15. The adsorption of bromomethane onto the exterior surface of aluminum nitride, boron nitride, carbon, and silicon carbide nanotubes: A PBC-DFT, NBO, and QTAIM study

    Mohsen Doust Mohammadi, Majid Hamzehloo

    Maqola20182 iqtibos
    ABI

  16. Environmental determinants of cardiovascular disease: lessons learned from air pollution

    Sadeer Al‐Kindi, Robert D. Brook, Shyam Biswal +1

    Sharh maqola20202 iqtibos
    ABI

  17. How air pollution threatens brain health

    Lynne Peeples

    Maqola20202 iqtibos
    ABI

  18. Unique structural advances of graphdiyne for energy applications

    Yasong Zhao, Nailiang Yang, Ranbo Yu +4

    Maqola20202 iqtibos
    ABI

  19. BN cluster-doped graphdiyne as visible-light assisted metal-free catalysts for conversion CO <sub>2</sub> to hydrocarbon fuels

    Zhen Feng, Yanan Tang, Weiguang Chen +4

    Maqola20202 iqtibos
    ABI

  20. Synthesis and Application of Highly Active Dithiooxamide Functionalised Multi-Walled Carbon Nanotubes Toward Mercury Removal from Aqueous Solution

    Mirabi Ali, Shokuhi Rad Ali, Siadati Seyyed Amir +1

    Maqola20162 iqtibos
    ABI

  21. Potential reversible and high-capacity hydrogen storage medium: Li-decorated B3S monolayers

    Yongliang Yong, Song Hu, Zijia Zhao +3

    Maqola20212 iqtibos
    ABI

  22. CHARACTERIZATION OF ELECTRONIC STRUCTURES ON THE ADSORPTION BEHAVIORS OF MERCAPTOPURINE ANTICANCER DRUG FROM SURFACE MACROMOLECULE CALIX[4]AREN AS ADSORBENT BY SPECTRAL STUDIES AND DFT CALCULATIONS

    Mahsa Mahmoudi Karamjavan, Karim Zare, Alireza Monadi Sefidan +2

    Maqola20222 iqtibos
    ABI

  23. Light triggering performance of the van der Waals heterojunction of 2D/0D graphdiyne/graphdiyne quantum dot as a novel phototransistor

    Zhaleh Ghafary, Abdollah Salimi, Rahman Hallaj +2

    Maqola20232 iqtibos
    ABI

  24. Insights into different toxic molecular gases on the Fe-dimer anchored at C2N monolayer as potential sorbents and gas sensors: A theoretical approach

    Jabir H. Al‐Fahemi, Kamal A. Soliman, S. Abdel Aal

    Maqola20232 iqtibos
    ABI

  25. The B3S monolayer as a high-capacity anode material for sodium-ion batteries: First-principles density functional theory approach

    Mohamed J. Saadh, Manal A. Abbood, Abdelmajeed Adam Lagum +5

    Maqola20232 iqtibos
    ABI