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Ушбу иш иқтибос қилган ишлар

57 та иш

Иш: Discriminative adsorption and sensing of air pollutants for public health by graphdiyne: irreversible adsorption and selectivity toward NO2 revealed by DFT

  1. Multiwfn: A multifunctional wavefunction analyzer

    Tian Lu, Feiwu Chen

    Мақола2011110 иқтибос
    ABI

  2. VMD: Visual molecular dynamics

    William Humphrey, Andrew Dalke, Klaus Schulten

    Мақола199677 иқтибос
    ABI

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

    Frank Weinhold

    Мақола20127 иқтибос
    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

    Мақола20216 иқтибос
    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

    Мақола20236 иқтибос
    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

    Мақола20246 иқтибос
    ABI

  7. Noncovalent Interactions in Crystalline Picolinic Acid N-Oxide: Insights from Experimental and Theoretical Charge Density Analysis

    Anastasia V. Shishkina, Vladimir Zhurov, A.I. Stash +3

    Мақола20136 иқтибос
    ABI

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

    Eric M. Collins, Krishnan Raghavachari

    Мақола20205 иқтибос
    ABI

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

    Ze Yang, Wang Gao, Qing Jiang

    Мақола20205 иқтибос
    ABI

  10. Computational Studies of Poly(vinylidene fluoride)—Single Wall Carbon Nanotube Systems

    Martin Bohlén, Kavitha Chelakara Satyanarayana, Kim Bolton

    Мақола20135 иқтибос
    ABI

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

    Maziar Noei, Vahid Zare-Shahabadi, Seyedeh Najmeh Razi

    Мақола20134 иқтибос
    ABI

  12. 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

    Мақола20234 иқтибос
    ABI

  13. 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

    Мақола20234 иқтибос
    ABI

  14. Synthesis and structural characterization of nano‐sized metal complexes of 3‐(1‐methyl‐4‐hydroxy‐2‐oxo‐1,2‐dihydroquinolin‐3‐yl)‐2‐nitro‐3‐oxopropanoic acid. XRD, thermal, 3D modeling, and antitumor activity studies

    Mosad A. El‐ghamry, Hoda F. El‐Shafiy

    Мақола20214 иқтибос
    ABI

  15. 2D Material Chemistry: Graphdiyne-based Biochemical Sensing

    Jiaofu Li, Changjin Wan, Cong Wang +2

    Мақола20204 иқтибос
    ABI

  16. Adsorption of air pollutants onto silver and gold atomic clusters: DFT and PNO-LCCSD-F12 calculations

    Mohsen Doust Mohammadi, Nikolaos Patsalidis, Somnath Bhowmick +2

    Мақола20234 иқтибос
    ABI

  17. Adsorption of gas molecule on Rh, Ru doped monolayer MoS2 for gas sensing applications: A DFT study

    Ruijuan Du, Wei Wu

    Мақола20213 иқтибос
    ABI

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

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

    Мақола20213 иқтибос
    ABI

  19. AlC3 monolayer: Highly responsive and selective gas sensing material for SF6 decomposed gases (SOF2, SO2F2 and SO2)

    I. Rhrissi, A. Bouhmouche, Youssef Arba +1

    Мақола20243 иқтибос
    ABI

  20. Global Burden of Chronic Respiratory Diseases

    Giovanni Viegi, Sara Maio, Salvatore Fasola +1

    Шарҳ мақола20203 иқтибос
    ABI

  21. Amide-functionalized g-C3N4 nanosheet for the adsorption of arsenite (As3+): Process optimization, experimental, and density functional theory insight

    Mohammad Khajavian, Sadegh Kaviani, Irina Piyanzina +3

    Мақола20243 иқтибос
    ABI

  22. Ambient Air Pollution Increases the Risk of Cerebrovascular and Neuropsychiatric Disorders through Induction of Inflammation and Oxidative Stress

    Omar Hahad, Jos Lelieveld, Frank Birklein +3

    Шарҳ мақола20202 иқтибос
    ABI

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

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

    Шарҳ мақола20202 иқтибос
    ABI

  24. How air pollution threatens brain health

    Lynne Peeples

    Мақола20202 иқтибос
    ABI

  25. Unique structural advances of graphdiyne for energy applications

    Yasong Zhao, Nailiang Yang, Ranbo Yu +4

    Мақола20202 иқтибос
    ABI