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59 ta ish

Ish: Phenytoin drug detection study through the B24N24 and Al24N24 nano-clusters in gas and solvent phase: DFT, TD-DFT, and thermodynamic study

  1. Density-functional thermochemistry. III. The role of exact exchange

    Axel D. Becke

    Maqola199374 iqtibos
    ABI

  2. General atomic and molecular electronic structure system

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

    Maqola199349 iqtibos
    ABI

  3. Sensing of carbamazepine by AlN and BN nanoclusters in gas and solvent phases: DFT and TD-DFT calculation

    Mir Saleh Hoseininezhad-Namin, Elaheh Rahimpour, Síbel A. Özkan +2

    Maqola20227 iqtibos
    ABI

  4. B24N24 fullerene as a carrier for 5-fluorouracil anti-cancer drug delivery: DFT studies

    Mehrnoosh Khodam Hazrati, Zahra Javanshir, Zargham Bagheri

    Maqola20176 iqtibos
    ABI

  5. Effects of B and N doping/codoping on the adsorption behavior of C60 fullerene towards aspirin: A DFT investigation

    Fateme Nattagh, Sharieh Hosseini, Mehdi D. Esrafili

    Maqola20216 iqtibos
    ABI

  6. Key difference between transition state stabilization and ground state destabilization: increasing atomic charge densities before or during enzyme–substrate binding

    Deliang Chen, Yibao Li, Xun Li +3

    Maqola20225 iqtibos
    ABI

  7. Theoretical study of adsorption of amino acids on graphene and BN sheet in gas and aqueous phase with empirical DFT dispersion correction

    Preeti Singla, Mohd Riyaz, Sonal Singhal +1

    Maqola20165 iqtibos
    ABI

  8. On some refinements for inequalities involving zero-balanced hypergeometric function

    Tie‐Hong Zhao, Zai-Yin He, Yu‐Ming Chu

    Maqola20204 iqtibos
    ABI

  9. NUMERICAL SOLUTION OF TRAVELING WAVES IN CHEMICAL KINETICS: TIME-FRACTIONAL FISHERS EQUATIONS

    Fuzhang Wang, Muhammad Nawaz Khan, Imtiaz Ahmad +3

    Maqola20214 iqtibos
    ABI

  10. Laboratory study and field application of amphiphilic molybdenum disulfide nanosheets for enhanced oil recovery

    Ming Qu, Tuo Liang, Jirui Hou +3

    Maqola20214 iqtibos
    ABI

  11. Metal–organic frameworks for chemical sensing devices

    Joseph F. Olorunyomi, Shu Teng Geh, Rachel A. Caruso +1

    Sharh maqola20214 iqtibos
    ABI

  12. Boron nitride nanocluster as a carrier for lomustine anticancer drug delivery: DFT and thermodynamics studies

    Elnaz Golipour-Chobar, Farshid Salimi, Gholamreza Ebrahimzadeh Rajaei

    Maqola20204 iqtibos
    ABI

  13. Quadratic transformation inequalities for Gaussian hypergeometric function

    Tie‐Hong Zhao, Miao-Kun Wang, Wen Zhang +1

    Maqola20183 iqtibos
    ABI

  14. From classical thermodynamics to phase-field method

    Long‐Qing Chen, Yuhong Zhao

    Maqola20213 iqtibos
    ABI

  15. Nitric oxide adsorption on non-stoichiometric boron nitride fullerene: Structural stability, physicochemistry and drug delivery perspectives

    Ernesto Chigo Anota, A. Escobedo-Morales, H. Hernández‐Cocoletzi +1

    Maqola20153 iqtibos
    ABI

  16. Evolving trends in bio/chemical sensor fabrication incorporating bimetallic nanoparticles

    Riddhipratim Mandal, Anupriya Baranwal, Ananya Srivastava +1

    Sharh maqola20183 iqtibos
    ABI

  17. The fabrication of a chemical sensor with PANI-TiO<sub>2</sub> nanocomposites

    Mohammad Rezaul Karim, M. M. Alam, Muhammad Omer Aijaz +3

    Maqola20203 iqtibos
    ABI

  18. Electronic and optical properties of 5-AVA-functionalized BN nanoclusters: a DFT study

    Alireza Soltani, Ahmad Sousaraei, Masoud Bezi Javan +2

    Maqola20163 iqtibos
    ABI

  19. Boron nitride nanotube (BNNT) as a sensor of hydroperoxyl radical (HO2): A DFT study

    Mohammad Solimannejad, Motahareh Noormohammadbeigi

    Maqola20163 iqtibos
    ABI

  20. Investigation on the potential application of some metal oxide nanoclusters in the detection of phenytoin in gas and solvent phases through density functional theory calculations

    Mir Saleh Hoseininezhad-Namin, Zahra Javanshir, Elaheh Rahimpour +1

    Maqola20233 iqtibos
    ABI

  21. Inter-component synergetic corrosion inhibition mechanism of Passiflora edulia Sims shell extract for mild steel in pickling solution: Experimental, DFT and reactive dynamics investigations

    Baomin Fan, Xiaoqi Zhao, Zining Liu +2

    Maqola20222 iqtibos
    ABI

  22. Multifunctional Ag(I)/CAAA-Amidphos Complex-Catalyzed Asymmetric [3 + 2] Cycloaddition of α-Substituted Acrylamides

    Kaiqiang Zhang, Qifu Deng, Jie Luo +5

    Maqola20212 iqtibos
    ABI

  23. Oral colon-targeted mucoadhesive micelles with enzyme-responsive controlled release of curcumin for ulcerative colitis therapy

    Chen Zhang, Jiaxin Li, Meng Xiao +5

    Maqola20222 iqtibos
    ABI

  24. Quantum Chemical Study of Interaction between Titanocene Dichloride Anticancer Drug and Al12N12 Nano-Cluster

    Mozhdeh Shabani, Reza Ghiasi, Karim Zare +1

    Maqola20202 iqtibos
    ABI

  25. Sarlavhasiz

    Boshqa2 iqtibos
    ABI