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K

Khurshid Ayub

comsats university

68H指数
615论文数
1.6W被引数
收录论文 271
发表时间
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Adsorption mechanism and binding affinity of curcumin and crizotinib on CTF-2 for drug delivery: A DFT and molecular dynamics study姜黄素和克里唑替尼在CTF-2上的吸附机制与结合亲和力：基于DFT和分子动力学的药物递送研究
errMicroporous and Mesoporous Materials
IF4.7
err2026-08-29
err0
PREAI
errMaryam Ameen; Mubeen Naz; Memona Nazeer; Khurshid Ayub; Muhammad Rafiq; Nadeem S. Sheikh; Jesus Vicente de Julián-Ortiz; Haydar Mohammad-Salim; Muhammad Yar
err分享
err收藏
Transition metal-induced excess electron localization driving the giant first hyperpolarizability in alkaline earthides: a DFT and TD-DFT study碱土金属诱导的过量电子定域驱动碱土金属化物中巨大的第一超极化率：DFT和TD-DFT研究
errrsc adv.
IF0
err2026-06-04
err0
errOAAI
errJabir Hussain; Riaz Hussain; Dua Tahreem; Annum Ahsan; Muhammad Arshad; Khurshid Ayub
err分享
err收藏
Carbon halogen bond dissociation energy predictions through automated machine learning pipeline通过自动化机器学习流程预测碳-卤素键的离解能
errScientific Reports
IF3.9
err2026-05-20
err0
errOAAI
errMahnoor Tajammal; Danish Ilyas; Muhammad Shah; Ahmad Khan; Umer Rashid; Khurshid Ayub
err分享
err收藏
Supramolecular Host-Guest Interactions of Tryvio and Vafseo with a Benzotriazole Nanocapsule: A Density Functional Theory Study三氮唑纳米胶囊与Ttryvio和Vafseo的超分子主客体相互作用：一种密度泛函理论研究
errJournal of Molecular Graphics and Modelling
IF3
err2026-05-19
err0
PREAI
errTayyaba Farzand; Mubeen Naz; Sidra Latif; Muhammad Yar; Khurshid Ayub; Mohamed E. Khalifa; Zeinhom M. El-Bahy; Sobhi M. Gomha
err分享
err收藏
Probing the electro-catalytic activity of first row late transition metals doped carbon nitride nano sheet (C3N2) for hydrogen evolution reaction; a DFT approach探究掺杂第一行后过渡金属的碳氮纳米片(C3N2)在析氢反应中的电催化活性；一种DFT方法
errSurfaces and Interfaces
IF6.3
err2025-12-12
err0
PREAI
errJabir Hussain; Riaz Hussain; Ajaz Hussain; Muhammad Arshad; Rida Irshad; Sehrish Sarfaraz; Mirza Arfan Yawer; Khurshid Ayub
err分享
err收藏
Unveiling the mechanism of the electroreduction of CO2 to CO over ZIF-8; ZIF-67; and ZIF-90: a DFT perspective揭示CO2在ZIF-8、ZIF-67和ZIF-90上的电还原为CO的机制：基于DFT的视角
errRSC Adv.
IF0
err2025-12-11
err0
errOAAI
errImtiaz Hussain; Umar Farooq; Khurshid Ayub
err分享
err收藏
Electronic and Optical Property Modulation in Belt[15]Pyridine-Fullerene Nano-Saturn Complexes带[15]吡啶-富勒烯纳米土星复合物的电子与光学性质调制
errCHEMISTRYSELECT
IF2
err2025-11-22
err0
PREAI
errMaqbool, Maria; Ahsan, Annum; Lakhani, Ahmed; Hussain, Riaz; Ayub, Khurshid
err分享
err收藏
Oxo-triaryl methyl (oxTAM) as targeted drug delivery vehicle for fludarabine and cytarabine anticancer drugs: A first-principles insight三芳基甲氧基 (oxTAM) 作为氟达拉滨和 Ara-C 抗癌药物的靶向药物递送载体：一种第一性原理洞察
errJournal of Molecular Graphics and Modelling
IF3
err2025-11-12
err0
PREAI
errMisbah Asif; Tariq Mahmood; Mazhar Amjad Gilani; Nadeem S. Sheikh; Imene Bayach; Khurshid Ayub
err分享
err收藏
Electrochemical sensing Applications of C4N framework for Anticancer drugsC4N框架在抗癌药物电化学传感中的应用
errMaterials Chemistry and Physics
IF4.7
err2025-11-10
err0
PREAI
errMemona Nazeer; Muhammad Yar; Muhammad Rafiq; Tehreem Tahir; Khurshid Ayub
err分享
err收藏
Hydrogen Adsorption and Dissociation on Transition Metal Anchored B12N12 Nanocages: Insights from Density Functional Theory过渡金属锚定的B12N12纳米笼上的氢吸附与解离：密度泛函理论见解
errDalton Trans.
IF3.3
err2025-10-31
err0
PREAI
errZainab Fareed; Tayyaba Tariq; Shaaban M. Shaaban; Muhammad Yar; Muhammad Ali Khan; Ajaz Hussain; Khurshid Ayub; Sehrish Sarfaraz; Yasser Riyad
err分享
err收藏
Hexamine metalides: Redefining nonlinear optics with record-breaking hyperpolarizability六亚甲基四胺金属化物：以创纪录的超极化率重新定义非线性光学
errJournal of Molecular Liquids
IF5.2
err2025-10-30
err0
PREAI
errJabir Hussain; Muhammad Arshad; Riaz Hussain; Ajaz Hussain; Annum Ahsan; Saleh S. Alarfaji; Khurshid Ayub
err分享
err收藏
Probing Solid-Supported Alkali and Alkaline Earth Metal Salts-Based Catalysts in the Multicomponent Synthesis of Acridine-1,8-diones: Box-Behnken and Density Functional Theory (DFT) Study基于固体支撑的碱金属和碱土金属盐催化剂在多组分合成吖啶-1,8-二酮中的应用研究：Box-Behnken和密度泛函理论(DFT)研究
errCHEMISTRYSELECT
IF2
err2025-09-30
err0
PREAI
errAli, Nisar; Sarfaraz, Sehrish; Asif, Hina; Abbas, Minahil; Al-Rashida, Mariya; Saeed, Muhammad; Rana, Sobia; Ayub, Khurshid; Hameed, Abdul
err分享
err收藏
Unveiling the NLO Potential of Transition Metalides: Stability, Electronic Structure, and Frequency-Dependent NLO Properties揭示过渡金属化合物的NLO潜力：稳定性、电子结构与频率依赖的NLO性质
errCHEMISTRYSELECT
IF2
err2025-09-17
err0
PREAI
errYounis, Raheela; Ahsan, Annum; Ayub, Khurshid
err分享
err收藏
A flow analysis of tangent hyperbolic nanofluid with activation energy near an exponentially stretching surface切向双曲纳米流体的流动分析，该流体具有活化能，且靠近指数拉伸表面。
errJOURNAL OF THE BRAZILIAN SOCIETY OF MECHANICAL SCIENCES AND ENGINEERING
IF2.1
err2025-09-11
err0
PREAI
errSalahuddin, T.; Ayub, K.; Awais, Muhammad; Khan, Mair; Mohammed, Najla A.
err分享
err收藏
Comparative study of cavitands-based nanocapsule as a drug delivery vehicle for an anti-cancer and multiple sclerosis drug-A DFT study基于cavitands的纳米胶囊作为抗癌和多发性硬化药物递送载体的比较研究-A DFT研究
errROYAL SOCIETY OPEN SCIENCE
IF2.9
err2025-09-10
err0
errOAAI
errAhsan, Annum; Sarfaraz, Sehrish; Hamid, Malai Haniti S. A.; Sheikh, Nadeem S.; Ayub, Khurshid
err分享
err收藏
Molecular Cucurbit[6]uril-enhanced electrochemical sensor for sensitive detection of hazardous air pollutants分子瓜环[6]脲增强的电化学传感器用于有害空气污染物的敏感检测
errMaterials Chemistry and Physics
IF4.7
err2025-08-28
err0
PREAI
errIqra Ejaz; Sehrish Sarfaraz; Khurshid Ayub
err分享
err收藏
Therapeutic potential of carbon nitride as a drug delivery system for naproxen and aspirin: A DFT and MD simulations三氮化碳作为萘普生和阿司匹林药物递送系统的治疗潜力：DFT和MD模拟
errJournal of Molecular Liquids
IF5.2
err2025-08-18
err0
PREAI
errTayyaba Tariq; Muhammad Rafiq; Tehreem Tahir; Muhammad Yar; Khurshid Ayub; Sohail Khan
err分享
err收藏
CTF-1 triazine framework as a drug delivery surface for the anticancer drugs carmustine and temozolomide: a DFT studyCTF-1三嗪骨架作为卡莫司汀和替莫唑胺抗癌药物的药物递送表面：一项DFT研究
errNew J. Chem.
IF2.5
err2025-08-17
err0
PREAI
errSidra Latif; Muhammad Rafiq; Muhammad Yar; Nadeem S. Sheikh; Khurshid Ayub; Sohail Khan; Mohamed A. Nassan
err分享
err收藏
In silico catalysis of hydrogen evolution reaction using transition metal loaded oxathiaporphyrin framework as electrocatalyst基于过渡金属负载的硫杂卟啉框架作为电催化剂的计算机模拟氢气进化反应催化
errInternational Journal of Hydrogen Energy
IF8.3
err2025-08-14
err0
PREAI
errSidra Jabeen; Riaz Hussain; Khalid Mahmood; Muhammad Yar; Ajaz Hussain; Khurshid Ayub; Muhammad Imran
err分享
err收藏
One-pot Mo(CO)6-facilitated transformation of anilines into benzophenones via in situ pyridinium reconfiguration一锅法利用Mo(CO)6促进苯胺转化为二苯甲酮，通过原位吡啶鎓重排实现
errOrg. Chem. Front.
IF4.7
err2025-08-07
err0
PREAI
errSatenik Mkrtchyan; Oleksandr Shalimov; Michael G. Garcia; Gabriela Addová; Juraj Filo; Sehrish Sarfaraz; Khurshid Ayub; Vishal B. Purohit; Viktor O. Iaroshenko
err分享
err收藏

研究方向

暂无研究方向
合作学者
合作期刊
A
Abdullah M. Asiri
H 指数: 168 · 论文数: 2.9K
M
Mika Sillanpää
H 指数: 138 · 论文数: 1.9K
I
Ivo F.J. Vankelecom
H 指数: 92 · 论文数: 558
M
M.S. Al-Buriahi
H 指数: 87 · 论文数: 648
F
Farooq Anwar
H 指数: 81 · 论文数: 375
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