| 1 |
Adsorption of pesticides using graphene oxide through computational and experimental approachCo-author Kamlesh Kumari * , Madhur Babu Singh , Nobel Tomar, Ajay Kumar, Vinod Kumar, Kawar Lal Dabodhia, Molecular Structure, Elsevier 2023 1291 136043 1872-8014 3.8 |
| 2 |
Mono-Phosphine Metal-Organic Framework-Supported Cobalt Catalyst for Efficient Borylation ReactionsCo-author Rajashree Newar,† Wahida Begum,† Naved Akhtar, Neha Antil, Manav Chauhan, Ajay Kumar, Poorvi Gupt European Journal of Inorganic Chemistry 2022 10 e202101019 1434-1948 2.5 |
| 3 |
*, Chemoselective and Tandem Reduction of Arenes using Metal-Organic Framework Supported Single-Site Cobalt CatalystSole Neha Antil,† Ajay Kumar,† Naved Akhtar, Wahida Begum, Manav Chauhan, Rajashree Newar, Manhar Sing Inorganic Chemistry, ACS 2022 61 1031−1040 0020-1669 5.4 |
| 4 |
In Silico Evaluation of Binding of 2-Deoxy-D-Glucose with Mpro of nCoV to Combat COVID-19Co-author Kamlesh Kumari, Anirudh Pratap Singh Raman, Pallavi Jain, Vijay Kumar Vishvakarma, Ajay Kumar, Ne . Pharmaceutics, MDPI 2022 14 135 1999-4923 6.7 |
| 5 |
An Insight of Novel Eutectic Mixture between Thiazolidine-2,4-dione and Zinc Chloride: Temperature dependent DFT ApproachCorresponding Madhur Babu Singh, Ajay Kumar,* Pallavi Jain, Prashant Singh,* Kamlesh Kumari Journal of Physical Organic Chemistry, Wiley 2022 35(3) e4305 1099-1395 2.3 |
| 6 |
An insight for the interaction of Drugs (Acyclovir/Ganciclovir) with various Ionic Liquids: DFT calculations and Molecular DockingSole Ajay Kumar, Kamlesh Kumari, Anirudh Pratap Singh Raman, Pallavi Jain, Durgesh Kumar, Prashant Si Journal of Physical Organic Chemistry, Wiley 2022 35(1) e4287 1099-1395 2.3 |
| 7 |
Chiral iron(II)-catalysts within valinol-grafted metal-organic frameworks for enantioselective reduction of ketonesCo-author Neha Antil,† Naved Akhtar,† Rajashree Newar, Wahida Begum, Ajay Kumar, Manav Chauhan, Kuntal Man ACS Catalysis 2021 11(16) 10450–10459 2155-5435 13.7 |
| 8 |
Investigate the interaction of testosterone/ progesterone with ionic liquids on varying the anion to combat COVID-19: DFT and molecular docking approachCorresponding Kamlesh Kumari, Ajay Kumar,* Indra Bahadur, Prashant Singh* Journal of Physical Organic Chemistry, Wiley 2021 34 (12) e4273 1099-1395 2.3 |
| 9 |
Metal-Organic Framework Confined Single-Site Base-Metal Catalyst for Chemoselective Hydrodeoxygenation of Carbonyls and AlcoholsSole Neha Antil,† Ajay Kumar,† Naved Akhtar,Rajashree Newar, Wahida Begum, Kuntal Manna* Inorganic Chemistry, ACS 2021 60 (12) 9029–9039 0020-1669 5.4 |
| 10 |
Aluminum Metal−Organic Framework-Ligated Single-Site Nickel(II)-Hydride for Heterogeneous Chemoselective CatalysisCo-author Neha Antil, Ajay Kumar, Naved Akhtar, Rajashree Newar, Wahida Begum, Ashutosh Dwivedi, Kuntal Ma ACS Catalysis 2021 11 3947-3957 2155-5435 13.7 |
| 11 |
Amino Acid-Functionalized Metal-Organic Frameworks for Asymmetric Base-Metal CatalysisCo-author Rajashree Newar, Naved Akhtar, Neha Antil, Ajay Kumar, Sakshi Shukla, Wahida Begum, Kuntal Manna Angewandte Chemie, Wiley 2021 60 2-9 1433-7851 16.8 |
| 12 |
Stereospecific N-acylation of Indoles and corresponding Microwave mediated synthesis of Pyrazinoindoles using HexafluoroisopropanolCo-author Aarushi Singh, Snigdha Singh, Shubham Sewariya, Nidhi Singh1, Prashant Singh, Ajay Kumar, et.al. Tetrahydron, Elsevier 2021 84 132017 0040-4020 2.4 |
| 13 |
Promising Iron (II) Complexes of Curcumins: Designing, DFT and Molecular DockingCorresponding Ajay Kumar*, Vinod Kumar, Kamlesh Kumari*, Pallavi Jain, Nagendra Kumar Kaushik, Prashant Singh* Journal of Physical Organic Chemistry, Wiley 2021 34 (7) e4196 1099-1395 2.3 |
| 14 |
DFT and Docking studies of Designed Conjugates of Noscapines & repurposing drugs: Promising inhibitors of main protease of SARS-CoV-2 and falcipan-2Sole Ajay Kumar, Durgesh Kumar, Ravinder Kumar, Prashant Singh, Ramesh Chandra, Kamlesh Kumari Journal Biomolecular Structure and Dynamics, Tylor and Francis 2022 40(6) 2600-2620 1538-0254 4.1 |
| 15 |
Temperature dependent DFT studies to understand the physiochemical interaction of lithium chloride cluster ions in presence of syringic acidSole Ajay Kumar, Kamlesh Kumari, Indra Bahdur, Prashant Singh* Journal of Chemical Thermodynamics, Elsevier 2021 152 106277 0021-9614 3.1 |
| 16 |
Noscapine anticancer drug designed with ionic liquids to enhance solubility: DFT and ADME approachSole Ajay Kumar, Kamlesh Kumari, Sangeeta Singh, Venkatesh Kumar R., Indra Bahdur, * Prashant Singh, Journal of Molecular Liquid, Elsevier 2021 325 115159 0167-7322 6.6 |
| 17 |
Metal-ligand complex formation between Ferrous or Ferric ion with Syringic acid and their anti-oxidant and anti-microbial activities: DFT and Molecular Docking approachSole Ajay Kumar, Kamlesh Kumari, Indra Bahadur, Prashant Singh* Journal of Molecular Liquid, Elsevier 2021 322 114872 0167-7322 6.6 |
| 18 |
Designed thiazolidines: An arsenal for the inhibition of nsP3 of CHIKV using molecular docking and MD simulationsCo-author 24. Mahendra Kumar Meena, Durgesh Kumar, Abhilash Jayaraj, Ajay Kumar, Kamlesh Kumari,* et.al. Journal Biomolecular Structure and Dynamics, Tylor and Francis 2020 40(4) 1607-1616 1538-0254 4.1 |
| 19 |
Kinetics of complex formation of Fe(III) with syringic acid: Experimental and theoretical studyCo-author Kaman Singh and Ajay Kumar Food Chemistry, Elsevier 2018 265 96-100 0308-8146 9.2 |
| 20 |
Kinetics of complex formation of Fe(III) with caffeic acid: Experimenta land theoretical studyCo-author Kaman Singh and Ajay Kumar Spectrochimca Acta Part A: Molecular and Biomolecular Spectroscopy, Elsevier 2019 211 148–153 1386-1425 4.01 |
| 21 |
The effect of high intensity ultrasound (HIU) on the kinetics of crystallization of sucrose: Elimination of latent periodCo-author Kaman Singh, Satya Prakash Gupta, Ashok Kumar and Ajay Kumar Ultrasonic Sonochemistry, Elsevier 2019 52 19–24 1350-4177 9.3 |
| 22 |
Removal of Pb(II) from its aqueous solution by activated carbon derived from Balam Khira (Kigelia Africana)Co-author Kaman Singh, Manisha Gautam, Bhuwan Chandra, Ajay Kumar Desalination and Water Treatment, Taylor & Francis 2016 57 1–11 1944-3994 1.2 |
| 23 |
Exploring the Molecular Interactions between Acyclovir and Hormones: Insights from Density Functional Theory CalculationsCo-author Anirudh Pratap Singh Raman, Jaya Tomar, Pallavi Jain, Ajay Kumar, Prashant Singh, Kamlesh Kumari ChemistrySelect 2023 8 (40) e202303320 2365-6549 2.1 |
