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56 ta ish

Ish: Development of efficient both work function and electric type sensor for the detection of nitrous oxide toxic gas via TM metal boron nitride graphdiyne nanosheets: A DFT study

  1. General atomic and molecular electronic structure system

    Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz +10

    Maqola199357 iqtibos
    ABI

  2. cclib: A library for package‐independent computational chemistry algorithms

    Noel M. O’Boyle, Adam L. Tenderholt, Karol M. Langner

    Maqola200732 iqtibos
    ABI

  3. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

    Samuel Francis Boys, Fernando Bernardi

    Maqola197030 iqtibos
    ABI

  4. Molecular structure, vibrational spectral assignments, MEP, HOMO-LUMO, AIM, NCI, RDG, ELF, LOL properties of acetophenone and for its solutions based on DFT calculations

    А. Jumabaev, Bekzod Khudaykulov, Utkirjon Holikulov +6

    MaqolaNonlinear Optical Materials ResearchOptical Materials202512 iqtibos
    ABI

  5. Electrophilicity Index

    Robert G. Parr, László von Szentpály, Shubin Liu

    Maqola199912 iqtibos
    ABI

  6. Accurate description of van der Waals complexes by density functional theory including empirical corrections

    Stefan Grimme

    Maqola200410 iqtibos
    ABI

  7. Detection of phosgene by Sc-doped BN nanotubes: A DFT study

    Javad Beheshtian, Ali Ahmadi Peyghan, Zargham Bagheri

    Maqola201210 iqtibos
    ABI

  8. Pd-doped MoS2 monolayer: A promising candidate for DGA in transformer oil based on DFT method

    Hao Cui, Xiaoxing Zhang, Guozhi Zhang +1

    Maqola20188 iqtibos
    ABI

  9. 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

  10. Recent advances on graphene: Synthesis, properties and applications

    Feizhi Zhang, Kang Yang, Guanjun Liu +4

    Maqola20226 iqtibos
    ABI

  11. Carbon Nanotube Sensors for Gas and Organic Vapor Detection

    Jing Li, Yijiang Lu, Ye Qi +3

    Maqola20036 iqtibos
    ABI

  12. Study on novel fluorescent carbon nanomaterials in food analysis

    Ngafwan NGAFWAN, Harun Al Rasyid, Emad Salaam Abood +4

    Maqola20215 iqtibos
    ABI

  13. DFT and QTAIM investigations of the adsorption of chlormethine anticancer drug on the exterior surface of pristine and transition metal functionalized boron nitride fullerene

    Md. Rakib Hossain, Md. Mehade Hasan, Maliha Nishat +4

    Maqola20204 iqtibos
    ABI

  14. Theoretical study of dibenzotetraaza[14]annulene complexes with first row transition metals

    Natanael de Sousa Sousa, Roberto Batista de Lima, Adilson Luís Pereira Silva +3

    Maqola20144 iqtibos
    ABI

  15. Theoretical Study on the Al-Doped ZnO Nanoclusters for CO Chemical Sensors

    Nasser L. Hadipour, Ali Ahmadi Peyghan, Hamed Soleymanabadi

    Maqola20154 iqtibos
    ABI

  16. Richardson-Dushman Equation Monograph

    Arthur L. Smith, R. Breitwieser

    Maqola19703 iqtibos
    ABI

  17. The role of NaOH and papaya latex bio-activator during production of carbon nanoparticle from rice husks

    N Ngafwan, I.N.G. Wardana, Widya Wijayanti +1

    Maqola20183 iqtibos
    ABI

  18. Types of Nanostructures

    Mahmoud Nasrollahzadeh, Zahra Issaabadi, Mohaddeseh Sajjadi +2

    Bob20193 iqtibos
    ABI

  19. Density functional theory study of Cu-doped BNNT as highly sensitive and selective gas sensor for carbon monoxide

    Guohong Fan, Xiaohua Wang, Xianxian Tu +3

    Maqola20203 iqtibos
    ABI

  20. Detection of nitrobenzene using transition metal doped C24: A DFT study

    Debolina Paul, Antara Vaidyanathan, Utpal Sarkar +1

    Maqola20213 iqtibos
    ABI

  21. The Development Trend of Graphene Derivatives

    Chen Li, Cun Zheng, Feng Cao +2

    Maqola20223 iqtibos
    ABI

  22. Unveiling regularities of B12N12-X nanocages as a drug delivery vehicle for the nitrosourea: The influence of periods and groups

    Y.B. Zhang, Yafei Luo, Lingkai Tang +2

    Maqola20233 iqtibos
    ABI

  23. Semiconductor Junction Gas Sensors

    Karin Potje‐Kamloth

    Sharh maqola20082 iqtibos
    ABI

  24. DFT study on the functionalization of a BN nanotube with sulfamide

    Javad Beheshtian, Ali Ahmadi Peyghan, Mohammad Bigdeli Tabar +1

    Maqola20122 iqtibos
    ABI

  25. Chemical hardness and density functional theory

    Ralph G. Pearson

    Maqola20052 iqtibos
    ABI