49 List of Publications (Since 2015) (Number of Publications: 49 ) and Patent(s)
Patent(s)
S. Awasthi, C. Srivastava, M. S. Bobji, S. K. Pandey, and J. Gaur, Reinforced Hydrogel, Methods and Applications Thereof (Application No: 202241016585) (Filing Date: Mar 24, 2022 and Publication Date: July 22, 2023)
List of Publications (since 2015) (Number of Publications: 39) and in Pipeline
1. Ting Wei, Tingting Gu, Xu Liang, Haijun Xu, Giriraj Chayal , S. K. Pandey, Ganesh D. Sharma, D-A-D type small molecule donors based on BODIPY skeleton for bulk heterojunction organic solar cells, J. Photochem. & Photobio. A: Chemistry (2024), 446, 115103. (DOI: 10.1016/j.jphotochem.2023.115103, (IF: 4.3, ISSN: 1873-2666, Elsevier)
2. T. Mandal, A. Ghosh, S. R. Mishra, S. K. Pandey*, and Vikram Singh* Development of Fluorescent Carbon Nanoparticles from Madhuca Longifolia Flower for Sensitive and Selective Detection of Cr (IV): A Collective Experimental-Computational Approach Nanoscale Adv. (2023), 5, 4269. DOI: 10.1039/d3na00289f (IF: 5.598, ISSN: 2516-0230, RSC)
3. S. K. Tiwari*, S. K. Pandey* (Contributed Equally as First and Main Corresponding Author), R. Randey, N. Wang*, Y. K. Mishra*, M. Bystrzejewski, Y. Zhu Stone-Wales Defect in Graphene, Small (2023), 2303340, 1-32 (DOI: 10.1002/smll.202303340, (IF: 15.153, ISSN: 1613-6829, Wiley), PMID: 37386778
4. S. K. Pandey* S. Hossain, and E. Arunan New Insights into the Formation of CH3OCH3 and CH3SCH3 without and with the Assistance of Na+ Ions and Some Implications for Interstellar Chemistry: An In Silico Approach, ACS Earth Space Chem. (2023), 7 (2), 388–403 ((DOI: 10.1021/acsearthspacechem.2c00292 IF: 3. 556, ISSN: 2472-3452, ACS)
5. S. K. Pandey*, E. Arunan, R. Das, A. Roy, and A. Kumar Mishra, Recent advances in in-silico design and characterization of superalkali-based materials and their potential applications: A review Front. Chem., 10:1019166, (2022) (DOI: 10.3389/fchem.2022.1019166 IF: 5.545, ISSN: 2296-2646, Frontiers)
6. S. Awasthi*, S. K. Pandey* (Contributed Equally as First and Main Corresponding Author), J. Gaur, and C. Srivastava* Load Bearing Studies and Interfacial Interactions of Hydroxyapatite Composite Coatings for Bone Tissue Engineering, Mater. Chem. Front. 6 (24), 3731-3747, (2022), (DOI: 10.1039/D2QM00898J IF: 8.683, ISSN: 2052-1537, RSC)
7. X. Zong, H. Dahiya, Y. Song, X. Liang, S. K. Pandey, H. Xu, G. D. Sharma, Alkynyl BODIPY-Core Bridged Perylene Diimide Star-Shaped Nonfullerene Acceptors for Efficient Polymer Solar Cells, ACS Appl. Energy Mater. (2022), 5 (12), 15624-15637 (DOI: 10.1021/acsaem.2c03200 IF: 6.959, ISSN: 2574-0962, ACS)
8. T. Wei, H. Dahiya, X. Liang, W. Zhu, S. K. Pandey, M. K. Singh, H. Xu, G. D. Sharma Bulk heterojunction organic photovoltaic cells based on D-A type BODIPY small molecules as nonfullerene acceptor J. Mater. Chem. C 10 (35), (2022), c. (DOI: 10.1039/D2TC02497G IF: 8.067, ISSN: 2050-7534, RSC)
9. S. Awasthi*, J. Gaur, S. K. Pandey* (Contributed Equally as First and Main Corresponding Author), M. S. Bobji*, and C. Srivastava*, High Strength, Strongly Bonded Nanocomposite Hydrogels for Cartilage Repair ACS Appl. Mater. Interfaces 13 (21), (2021), 24505-24523. (DOI: 10.1021/acsami.1c05394 IF: 10.383, ISSN: 1944-8252, ACS)
10. S. Awasthi*, S. K. Pandey* (Contributed Equally as First and Main Corresponding Author), E. Arunan and C. Srivastava*, A Review on Hydroxyapatite Composites for Biomedical Application: From Experimental and Theoretical Perspectives, J. Mater. Chem. B 9 (2), (2021), 228-249. (DOI: 10.1039/D0TB02407D IF: 7.571, ISSN: 2050-7518, RSC)
11. A. K. Srivastava, S. K. Pandey (Contributed Equally as First Author) and N. Misra*, Structure, energetics, spectral and electronic properties of B3N3C54 heterofullerene J. Nanostruct. Chem. 6, (2016), 103-109. (DOI: 10.1007/s40097-015-0184-8 IF: 8.00, ISSN: 2193-8865, Springer)
12. S. K. Pandey, D. Manogaran, S. Manogaran*, and H. F. Schaefer III*, Quantification of Hydrogen Bond Strength Based on Interaction Coordinates: A New Approach J. Phys. Chem. A 121 (32), (2017), 6090-6103. (DOI: 10.1021/acs.jpca.7b04752 IF: 2.944, ISSN: 1089-5639, ACS)
13. S. K. Pandey, D. Manogaran, S. Manogaran*, and H. F. Schaefer III*, Quantification of Aromaticity Based on Interaction Coordinates: A New Proposal J. Phys. Chem. A 120 (18), (2016), 2894-2901. (DOI: 10.1021/acs.jpca.6b00240 IF: 2.944, ISSN: 1089-5639, ACS)
14. S. K. Pandey* Novel and Polynuclear K- and Na-Based Superalkali Hydroxides as Superbases Better than Li-Related Species and Their Enhanced Properties: From ab Initio Exploration, ACS Omega 6 (46), (2021), 31077-31092. (DOI: 10.1021/acsomega.1c04395 IF: 4.132, ISSN: 2470-1343, ACS)
15. S. K. Pandey* (Contributed as the Main Corresponding Author) and E. Arunan*, Effects of Multiple OH/SH Substitution on the H-bonding/Stability versus Aromaticity of Benzene Rings: From Computational Insights ChemistrySelect 6 (20), (2021), 5120-5139. (DOI: 10.1002/slct.202100689 IF: 2.307, ISSN: 2365-6549, Wiley)
16. S. K. Pandey* Computational Study on the Structure, Stability, and Electronic Feature Analyses of Trapped Halocarbons inside a Novel Bispyrazole Organic Molecular Cage, ACS Omega 6 (17), (2021), 11711-11728. (DOI: 10.1021/acsomega.1c01019 IF: 4.132, ISSN: 2470-1343, ACS)
17. S. Awasthi, S. K. Pandey (Contributed equally as First Author), C. P. Pandey, and K. Balani*, Progress in Electrophoretic Deposition of Nickel with Carbonaceous Allotropes: A Review Adv. Mater. Interfaces (2019), 7 (1), 1901096/1-33. (DOI: 10.1002/admi.201901096 IF: 6.389, ISSN: 2196-7350, Wiley)
18. S. Awasthi, S. K. Pandey, and K. Balani Tuning the Magnetism and Tribological Behaviour of Electrodeposited Ni/Cu Bi-layer by Selective Reinforcement of Carbon Nanotubes J. Alloys Comp. 818, (2020), 153287/1-12, (DOI: 10.1016/j.jallcom.2019.153287 IF: 6.371, ISSN: 0925-8388, Elsevier)
19. S. Awasthi, S. K. Pandey, A. Juyal, C. P. Pandey, and K. Balani, Synergistic Effect of Carbonaceous Reinforcements on Microstructural, Electrochemical, Magnetic and Tribological Properties of Electrophoretically Deposited Nickel J. Alloys Comp. 711, (2017), 424-433. (DOI: 10.1016/j.jallcom.2017.04.003 IF: 6.371, ISSN: 0925-8388, Elsevier)
20. K. Singh, A. Kumar, S. Awasthi, S. K. Pandey, and P. Mishra Adsorption Mechanism of Carboxymethyl Cellulose onto Mesoporous Mustard Carbon: Experimental and Theoretical Aspects, Colloids and Surfaces A 581, (2019), 123786. (DOI: 10.1016/j.colsurfa.2019.123786 IF: 5.518, ISSN: 0927-7757, Elsevier)
21. A. K. Srivastava, S. K. Pandey and N. Misra, Encapsulation of lawrencium into C60 fullerene: Lr@C60 versus Li@C60 Mater. Chem. Phys. 177, (2016), 437-441. (DOI: 10.1016/j.matchemphys.2016.04.050 IF: 4.778, ISSN: 0254-0584, Elsevier)
22. K. Singh, A. Kumar, S. K. Pandey, S. Awasthi, S. K. Gupta, and P. Mishra Interpretation of Adsorption Behaviour of Carboxymethyl Cellulose onto Functionalized Accurel Hydrophilic Polymeric Surface, Ind. Eng. Chem. Res. 59 (43), (2020), 19102-19116. (DOI: 10.1021/acs.iecr.0c03894 IF: 4.326, ISSN: 1520-5045, ACS)
23. R. Singh*, G. Kociok-Köhn, K. Singh, S. K. Pandey*, and L. Singh Influence of ligand coordination, solvent, and non-covalent interaction on the structural outcomes in coordination polymers with direct Cd(II)-alkanesulfonate bonds: A combined experimental and computational study J. Solid State Chem. 280, (2019), 120992. (DOI: 10.1016/j.jssc.2019.120992 IF: 3.656, ISSN: 0022-4596, Elsevier)
24. S. Sharma, G. Brahmachari, B. Banerjee, K. Nurjamal, A. Kumar, A. K. Srivastava, N. Misra, S. K. Pandey, Rajnikant and V. K. Gupta, Synthesis, spectroscopic characterization and crystallographic behavior of a biologically relevant novel indole-fused heterocyclic compound — Experimental and theoretical (DFT) studies J. Mol. Struct. 1118, (2016), 344-355. (DOI: 10.1016/j.molstruc.2016.04.038 IF: 3.841, ISSN: 0022-2860, Elsevier)
25. A. K. Srivastava, N. Misra and S. K. Pandey* DFT study on planar (CaO)n clusters (n = 1−5) and their hydrogen storage behavior J. Clust. Sci. 29 (1), (2017), 57-65. (DOI: 10.1007/s10876-017-1306-x IF: 3.447, ISSN: 1572-8862, Springer)
26. A. K. Srivastava, S. K. Pandey and N. Misra, Structure, electronic properties and electronic excitation analyses of Si60—Si60 dimer and Si59Al—S59P complex Curr. App. Phys. 17 (11), (2017), 1376-1381. (DOI: 10.1016/j.cap.2017.07.014 IF: 2.856, ISSN: 1567-1739, Elsevier)
27. A. K. Srivastava, S. K. Pandey and N. Misra, (CH3Br⋯NH3)@C60: The Effect of Nano Confinement on Halogen Bonding Chem. Phys. Lett. 662, (2016), 240-243. (DOI: 10.1016/j.cplett.2016.09.036 IF: 2.713, ISSN: 0009-2614, Elsevier)
28. A. K. Srivastava, S. K. Pandey and N. Misra, A Computational Study on Semiconducting Si60, Si59Al and Si59P Nanocages Chem. Phys. Lett. 691, (2018), 82-86. (DOI: 10.1016/j.cplett.2017.11.001 IF: 2.713, ISSN: 0009-2614, Elsevier)
29. A. K. Srivastava, S. K. Pandey and N. Misra, Prediction of Superalkali@C60 Endofullerenes, Their Enhanced Stability and Interesting Properties Chem. Phys. Lett. 655-656, (2016), 71-75. (DOI: 10.1016/j.cplett.2016.05.039 IF: 2.713, ISSN: 0009-2614, Elsevier)
30. A. K. Srivastava, S. K. Pandey and N. Misra, Superhalogen properties of ReFn(n≥6) species Chem. Phys. Lett. 624, (2015), 15–18. (DOI: 10.1016/j.cplett.2015.01.056 IF: 2.713, ISSN: 0009-2614, Elsevier)
31. A. K. Srivastava, A. Kumar, S. K. Pandey and N. Misra, Spectroscopic analyses, intra-molecular interaction, chemical reactivity and molecular docking of imerubrine into 5-HT3 receptor Med. Chem. Res. 25 (12), (2016), 2832-2841. (DOI: 10.1007/s00044-016-1710-z IF: 2.351, ISSN: 1054-2523, Springer)
32. S. H. Mehdi, R. M. Ghalib, S. Awasthi, S. F. Alshahateet, R. Hashim, O. Sulaiman and S. K. Pandey*, Synthesis, Characterization, Crystal Structure, and Stability of 2-(5, 5-dimethyl-3-oxocyclohex-1-en-1-yl) Hydrazinecarbothioamide: A Combined Experimental and Theoretical Study ChemistrySelect 2 (23), (2017), 6699-6709. (DOI: 10.1002/slct.201700799 IF: 2.307, ISSN: 2365-6549, Wiley)
33. R. Singh, K. Singh, and S. K. Pandey*, A Computational Scrutiny on the Stability, Structural, and Electronic Features of Alkanesulfonate Based Zincate Salt with Varying Countercations ChemistrySelect 3 (46), (2018), 13048-13056. (DOI: 10.1002/slct.201803175 IF: 2.307, ISSN: 2365-6549, Wiley)
34. M. Gupta, K. Tomar, S. K. Pandey, and P. K. Bharadwaj, Weak and Reversible Binding of Alkali Metal Ions (Na+/K+) by an Aza-Oxa Cryptand ChemistrySelect 4(5), (2019), 1785-1788. (DOI: 10.1002/slct.201803353 IF: 2.307, ISSN: 2365-6549, Wiley)
35. V. Mohan, N. Das, V. K. Jain, S. K. Pandey, Md. S. H. Faizi, J. Daniel, and P. Sen Highly Selective and Sensitive (PPB Level) Quinolin based Colorimetric Chemosensor for Cu(II) ChemistrySelect 5(30), (2020), 9435-9442. (DOI: 10.1002/slct.202001814 IF: 2.307, ISSN: 2365-6549, Wiley)
36. A. K. Srivastava, S. K. Pandey and N. Misra, Stability versus aromaticity in mono-hydroxylated borazine, 1,2-azaborine and 1,3,2,4-Diazadiborine Mol. Phys. 114(11), (2016), 1763-1770. (DOI: 10.1080/00268976.2016.1145749 IF: 1.937, ISSN: 0026-8976, Taylor & Francis)
37. A. K. Srivastava, S. K. Pandey and N. Misra, BO2 Functionalized B3N3C54 Heterofullerene as a Possible Candidate for Molecular Spintronics and Nonlinear Optics Mater. Res. Exp. 3(4), (2016), 045008/1-8. (DOI: 10.1088/2053-1591/3/4/045008 IF: 2.025, ISSN: 2053-1591, IOP Science)
38. P. Yadav, S. K. Pandey, P. Sharma, S. Kumar, M. Banerjee, and A. Sethi, Experimental and Theoretical Investigation of synthesized Pregnenolone Derivatives via Palladium Catalyzed Cross Coupling Reactions, their anticancer activity against lung cancer cells, J. Mol. Struct. 1245, (2021), 131115. (DOI: 10.1016/j.molstruc.2021.131115 IF: 3.841, ISSN: 0022-2860, Elsevier)
39. A. K. Srivastava, S. K. Pandey and N. Misra, The aromaticity and electronic properties of monosubstituted benzene, borazine and diazaborine rings: An ab initio MP2 study Theor. Chem. Acc. 135, (2016), 158/1-7. (DOI: 10.1007/s00214-016-1918-5 IF: 2.154, ISSN: 1432-2234, Springer-Nature)
40. R. K. Mudsainiyan, A. K. Jassal, and S. K. Pandey Structural Diversity from Co-crystal to 1D Coordination Polymers of 2, 6-NaphthaleneDicarboxylic Acid with 4, 4'-Bipyridine as Coligand: Structural and Computational Approach, J. Coord. Chem. 73, (2020), 3363-3381. (DOI: 10.1080/00958972.2020.1853108 IF: 1.869, ISSN: 0095-8972, Taylor & Francis)
41. M. Arora, S. K. Chawla, S. K. Pandey, and R. K. Mudsainiyan, Anion Controlled Geometrically Different Cu(II) ion based Coordination Polymers and Green synthetic route for Copper nanoparticles: A Combined Experimental and Computational Insight J. Coord. Chem. 71 (14), (2018), 2243-2266. (DOI: 10.1080/00958972.2018.1483077 IF: 1.869, ISSN: 0095-8972, Taylor & Francis)
42. S. K. Pandey, P. Das, P. Das, E. Arunan, and S. Manogaran, Intramolecular hydrogen bond: Can it be part of the basis set of valence internal coordinates in normal mode analysis? J. Chem. Sci. 127, (2015), 1127-1134. (DOI: 10.1007/s12039-015-0866-2 IF: 2.15, ISSN: 0973-7103, Springer)
43. A. K. Srivastava, S. K. Pandey*, A. K. Pandey, N. Misra, C60 as Electron Acceptor and Donor: A Comparative DFT Study of Li@C60 and F@C60 Aus. J. Chem. 71 (12), (2018), 953-956. (DOI: 10.1071/CH18391 IF: 1.224, ISSN: 0004-9425, CSIRO)
44. S. K. Pandey*, M. F. Khan, S. Awasthi, R. Sangwan and S. Jain, A Quantum Theory of Atoms-in-Molecules Perspective and DFT Study of two Natural Products: Trans-communic and Imbricatolic Acid Aus. J. Chem. 70 (3), (2016), 328-333. (DOI: 10.1071/CH16406 IF: 1.224, ISSN: 0004-9425, CSIRO)
45. R. K. Mudsainiyan* and S. K. Pandey, A Combined Theoretical Calculations and Hirshfeld Surface Analysis of Cooperative Non-covalent Interactions in the Crystal Packing in [Cu(L1)2(EDA)] Z. Anorg. Allg. Chem. 643 (20), (2017), 1245-1252. (DOI: 10.1002/zaac.201700182 IF: 1.414, ISSN: 1521-3749, Wiley)
46. R. S. S. S. Vemuri, S. K. Pandey*, and G. P. Khanal, A Computational Investigation on the Structural, Stability, and Electronic Feature Analyses of Substrates (Methyl Orange and Vanadium Oxide) Associated with Surfactant (Triton X-100), Curr. App. Poly. Sci. 5 (1), (2022), 60-71. (DOI: 10.2174/2452271605666220315155041 ISSN: 2452-2724, Bentham Science)
Referred and Peer-reviewed Journal
47. S. K. Pandey, A. K. Srivastava and N. Misra, Relaxed Force Constants and QTAIM Analysis for Benzene, Borazine and Azaborines: New Insights into Bonding in the Six Membered Rings J. Comp. Meth. Mol. Des. 6, (2016), 15-22. (ISSN: 2231-3176)
48. A. K. Srivastava, S. K. Pandey, S. K. Gangwar and A. Tamulis, Electronic transitions in two micelles system: DFT and TD-DFT approaches J. Comp. Meth. Mol. Des. 5, (2015), 27-32. (ISSN: 2231-3176)
49. A. K. Srivastava, S. K. Pandey, A. Kumar and N. Misra, Vibrational Dynamics of B3N3 Substituted C60 Fullerene J. Sci. Res. Adv. 3, (2016), 231-234. (ISSN: 2395-0226)
Manuscript under Review (6)
50. S. Awasthi and S. K. Pandey* Mechanical Strength, Electrochemical Stability and Interfacial Interaction Studies of Polyacrylamide Hydrogel Nanocomposite for Cartilage Regeneration, J. Mat. Chem. B, (Manuscript No: em.cej.0.8445e3.59eff081) (Under Review) (Aug, 2023). (IF: 7.0, RSC)
51. S. Awasthi and S. K. Pandey* Hydrogels Anchored with Magical Nanoallotropes of Carbon, Appl. Mat. Today (Under Review), (IF: 8.3, ISSN: 2352-9415, Elsevier) (July, 2023)
52. S. Awasthi, A. Srivastava, and S. K. Pandey* Nanodiamond-Structured Zinc Composite Coatings with Strong Bonding and High Load-bearing Capacity, Nanoscale Adv. (Under Review), Manuscript ID: NA-ART-09-2023-000809, (IF: 5.59, ISSN: 2516-0230, RSC) (Sep, 2023)
53. S. Awasthi and S. K. Pandey* Electrodeposited Carbon Nanostructured Nickel Composite Coatings: A Review Heliyon (Under Review), Manuscript ID: NA-ART-09-2023-000809, (IF: 4.0, ISSN: 3405-8440, Elsevier) (Sep, 2023)
54. Vimala, R., S. Das, S. Luktuke, A. Raj, A. A. Mini, K. Ramesh, A. N. Grace, A. Chakravorty, and S. K. Pandey* Graphene/Gadolinium Oxide Composite Modified Screen-Printed Electrochemical Sensor for Detection of Diclofenac Sodium, Results in Chemistry (Under Review), (IF: 2.5, ISSN: 1873-2569, Elsevier) (Sep, 2023)
55. A. Q. Malik, P. E. Lokhande, D. Kumar*, S. Awasthi*, S. K. Pandey*, Ag2S Quantum Dots Embedded in Molecular Imprinted Polymer Matrix with High Photocatalytic Activity for Dye Removal, Environmental Science: Progresses & Impacts (Under Review), (IF: 5.5, ISSN: 2050-7895, RSC) (Oct, 2023)
Manuscript Ready for Communication (5)
56. K. Chandratre, P. Pragya, S. K. Pandey*, B. P. Dhamaniya, P. Chhillar, S. Pathak, S. Karak, Development of perovskite inks for facile one-step coating of different morphologies, (Nov, 2023).
57. S. K. Pandey*, Sukanya K. S., and E. Arunan*, A Theoretical Study on Astatine/Iodine Mediated Halogen Bonding in Astatine Monoiodide with Some Selected Acceptors, Chem. Comm. (Invited article for submission) (2023). (IF: 6.065, ISSN: 1364-548X 1948-7185, RSC)
58. S. K. Pandey*, A Computational Experiment on the Structure, Stability, and Electronic Properties of Free NH3-HF, NH3-HCl, NH3-HBr, and NH3-HI Dimer Complexes versus the Their Encapsulation Inside C60 Cage J. Phys. Chem. Lett. (Invited article for submission) (2023) (IF: 5.7, ISSN: 1948-7185, ACS).
59. S. K. Pandey* Recent Progress in Quantifying Aromaticity Using Energetic, Structural, Electronic, and Magnetic Criteria: An Overview, (2023).
60. S. K. Pandey* Recent Advances in In-Silico Design, Characterization, and Applications of Polyacrylamide Hydrogel Based Biocomposites: A Mini-Review (2023).
Manuscript under Preparation (3)
61. S. K. Pandey* and R. Singh Computational Exploration of Anionic, Neutral, and Cationic Coordination Motifs Based on Weakly-coordinating n-propanesulfonate Anion (2023).
62. S. K. Pandey* and S. Manogaran, Interaction Coordinate Based Aromaticity for Some Five Membered Heterocyclic (X = O, N, and S) Systems and Their Protonated Analogs (2023).
63. S. K. Pandey* and S. Manogaran, Quantification of the Aromaticity for Some Fulvalene Systems Using Interaction Coordinate Approach (2023).