Vikas Dasharath Ghule

Designation:    Assistant Professor
Department:    Chemistry
Qualification:    M.Sc. (Organic Chemistry) from University of Pune, Pune, Maharashtra; Ph.D. (Chemistry) from University of Hyderabad, Central University, Hyderabad
Address:    Room No. 142, Department of Chemistry, NIT-Kurukshetra, Kurukshetra-136119, HaryanaHouse No. CB-3, Near Faculty house, NIT-Campus, NIT-Kurukshetra, Kurukshetra-136119, Haryana
Email:    gvd@nitkkr.ac.in
Phone No:    +91-1744-233-512 and +91-98960 06804
Area of Interest:    
  • High Energy Materials: Computational design and Synthesis
  • Conducting polymers: Synthesis, modeling, and applications.
  • Synthesis of nitrogen-rich materials
  • Organic chemistry

Experience : > 9 Years

Assistant Professor (AGP: 7000/-): 09.09.2013-24.11.2022

Assistant Professor (AGP: 8000/-): 25.11.2022 onwards….

Others:   

LIST OF PUBLICATIONS (113)

1. P. Devi, Vikas D. Ghule, M. Senthilkumar, Ruthenium Induced Decomposition of Hexamethylenetetramine as a Tool for Acid Free Sommelet Reaction in Aqueous Medium. Journal of Organic Chemistry, 2024, (IF: 3.6), ISSN: 1520-6904.

2. P. Kumar, N. Kumar, Vikas D. Ghule, S. Dharavath, Zwitterionic fused pyrazolo-triazole based high performing energetic materials, Chemical Communications, 2024. DOI:10.1039/D3CC05920K. (IF: 6.065), ISSN 1364-548X.

3. A. K. Yadav, M. Jujam, Vikas D. Ghule, S. Dharavath Amine and nitramine functionalization of imidazole-triazine and triazole-triazine skeletons: Exploring for potential multipurpose energetic materials, Journal of Heterocyclic Chemistry, 2024. (IF: 2.4), Online ISSN:1943-5193. DOI: 10.1002/jhet.4773. https://doi.org/10.1002/jhet.4773

4. A. Yadav, N. Kumar, Vikas D. Ghule, S. Dharavath, Synthesis of advanced pyrazole and N-N bridged bistriazole-based secondary high energy materials, Organic Letters, 2023, 25, 8606–8610, (IF: 5.2) ISSN: 1523-7052. https://doi.org/10.1021/acs.orglett.3c03277

5. S. Kumar, G. Singh, R. K. Tittal, J. Singh, Vikas D. Ghule, R. Sharma, Selective Quinizarin-Linked Bis-1,2,3-triazoles as Probes for Fe(II)/(III): Characterization, Metal Ion Binding, DFT, and Antiallergy Activity via Docking Studies, Journal of Molecular Structure, 2024, 1299, 137142 (IF: 3.841) ISSN: 0022-2860. https://doi.org/10.1016/j.molstruc.2023.137142

6. K. Sharma, A. Maan, Vikas D. Ghule, S. Dharavath, Azo-Bridged Triazole Macrocycles: Computational Design, Energy Content, Performance, and Stability Assessment. Journal of Physical Chemistry A 2023, 127, 10128–10138 (IF: 2.944) ISSN: 1520-5215. https://doi.org/10.1021/acs.jpca.3c057321.

7. B. Lal, S. Kumar, R. K. Tittal, G. Singh, J. Singh, Vikas D. Ghule, R. S. Mathpati, J. K. Sabane, 4-Aminoantipyrine Linked Bis-1,2,3-Triazole Based Probes for Cu(II) Sensing, Journal of Molecular Structure, 1297, 2023, 136995. (IF: 3.841) ISSN: 0022-2860. https://doi.org/10.1016/j.molstruc.2023.136995

8. Rimpi Devi, A. Maan, Vikas D. Ghule, S. Dharavath, Functionalization of fused imidazole-oxadiazole, triazole-oxadiazole and tetrazole-oxadiazole skeletons: search for stable and potential energetic materials, Computational and Theoretical Chemistry, 1229, 2023, 114352. DOI: 10.1016/j.comptc.2023.114352. (IF: 2.8), Online ISSN: 2210-2728. https://doi.org/10.1016/j.comptc.2023.114352

9. P. Bhatia, K. Pandey, B. Avasthi, P. Das, Vikas D. Ghule, D. Kumar, Controlling the Energetic Properties of N-methylene-C linked 4-hydroxy-3,5-dinitropyrazole and Tetrazole Based Compounds via selective Mono- and Dicationic Salt Formation Strategy. Journal of Organic Chemistry, 2023, 88 (21), 15085–15096. DOI: 10.1021/acs.joc.3c01530. (IF: 3.6), ISSN: 1520-6904. https://doi.org/10.1021/acs.joc.3c01530

10. B. Lal, R. K. Tittal, R. S. Mathpati, Vikas D. Ghule, N. Nehra, K. Lal, Synthesis, X-ray Crystallography, Antimicrobial, Molecular Docking, and DFT study of Bis-triazoles linked Ampyrone, Journal of Molecular Structure, 2023, 1294, 136455. DOI: 10.1016/j.molstruc.2023.136455 (IF: 3.841) ISSN: 0022-2860.

11. A. K. Yadav, Vikas D. Ghule, S. Dharavath, Straightforward synthesis of insensitive 2-(1-hydroxy-2,2-dinitrovinyl)guanidine and its guanidinium dinitromethanide (GDNM) salt as a high energy density material. The Journal of Organic Chemistry, 2023, (IF: 3.6), ISSN: 1520-6904.


12. A. K. Yadav, R. Rajak,
Vikas D. Ghule, S. Dharavath, Energetic coordination compounds: self-assembled from the nitrogen-rich energetic C-C bonded pyrazole and triazole, Dalton Transactions, 2023, DOI: 10.1039/D3DT02410E, (IF: 4.0), ISSN 1477-9234.


13. K. Pandey, P. Bhatia, K. Mohammad,
Vikas D. Ghule, D. Kumar, Polynitro Functionalized 4-Phenyl-1H-pyrazoles as Heat-Resistant Explosives, Organic & Biomolecular Chemistry, 2023. DOI: 10.1039/D3OB00949A. (IF: 3.2) ISSN 1477-0539.


14. A. Maan,
Vikas D. Ghule, S. Dharavath, Computational manifestation of nitro substituted tris(triazole): understanding the impact of isomerism on performance-stability parameters, Journal of Physical Chemistry A 2023 (IF: 2.944) ISSN: 1520-5215.


15. S. Kumar, B. Lal, R. K. Tittal, G. Singh, J. Singh,
Vikas D. Ghule, R. Sharma, J. K. Sabane, A selective chemosensor via Click chemistry for Cu2+ and Hg2+ ions in organic media, Sensors & Diagnostics, 2023, DOI: 10.1039/d3sd00109a. ISSN 2635-0998.


16. S. Kumar, S. Gadiyaram, R. K. Tittal,
Vikas D. Ghule, R. Sharma, Fluorescent molecular probe to detect and differentiate Fe3+from other metal ions, Journal of Molecular Structure, 2023, 1290, 135940. (IF: 3.841) ISSN: 0022-2860.

 

17. R. Rajak, P. Kumar, Vikas D. Ghule, S. Dharavath, Poly tetrazole containing thermally stable and insensitive alkali metal based 3D energetic metal-organic frameworks (EMOFs), Inorganic Chemistry, 2023, (IF: 5.436) ISSN: 1520-510X.


18. Anjali Maan, R. Devi,
Vikas D. Ghule, S. Dharavath, Design and computational studies on energetic compounds composing bridged bis triazolo-triazine framework, Chemical Physics 571 (2023) 111939. (IF: 2.552) ISSN: 1873-4421.


19. K. Sharma, R. K. Tittal, K. Lal, R. S. Mathpati,
Vikas D. Ghule, Fluorescent 7-azaindole nlinked 1,2,3-triazole: synthesis and study of antimicrobial, molecular docking, ADME and DFT properties, New Journal of Chemistry, 2023. DOI: 10.1039/D3NJ00223C. (IF: 3.925) ISSN:1369-9261.


20. S. Banik,
Vikas D. Ghule, S. Dharavath, Synthesis, characterization, testing, and detonation performance studies of fused pyrazole-based fluorescent energetic materials, Materials Chemistry and Physics, 2023. DOI: 10.1016/j.matchemphys.2023.127678. (IF: 4.778) ISSN: 1879-3312.


21. M. Yadav, K. Lal, Amilan Jose D.,
Vikas D. Ghule, R. K. Tittal, Synthesis, Photophysical and DFT Investigations on 1,2,3-Triazoles linked to Chalcone and Chalco-pyrene, Chemical Papers, 2023. (IF: 2.146) ISSN: 2585-7290.


22. A. K. Yadav, M. Jujam,
Vikas D. Ghule, S. Dharavath, High-performing, insensitive and thermally stable energetic materials from zwitterionic gem-dinitromethyl substituted C-C bonded 1,2,4-triazole and 1,3,4-oxadiazole, Chemical Communications, 2023, 59, 4324-4327. DOI: 10.1039/D3CC00615H. (IF: 6.065), ISSN 1364-548X.


23. A. K. Yadav,
Vikas D. Ghule, S. Dharavath, Thermally stable and insensitive energetic cocrystals comprising nitrobarbituric acid conformer, Crystal Growth & Design, 2023. (IF: 4.01), ISSN: 1528-7505.


24. P. Kumar, Vikas D. Ghule, S. Dharavath, Facile synthesis of thermally stable tetrazolo[1,5-b][1,2,4]triazine substituted energetic materials: Synthesis and characterization, Dalton Transactions, 2023, 52, 747-753. DOI: 10.1039/D2DT03814E. (IF: 4.569) ISSN 1477-9234.


25. A. K. Yadav,
Vikas D. Ghule, S. Dharavath, Promising Thermally Stable Energetic Materials with the Combination of Pyrazole–1,3,4-Oxadiazole and Pyrazole–1,2,4-Triazole Backbones: Facile Synthesis and Energetic Performance, ACS Applied Materials & Interfaces, 2022, 14(44), 49898–49908. DOI: 10.1021/acsami.2c16414, (IF: 10.383), Web ISSN: 1944-8252.


26. S. Banik, P. Kumar,
Vikas D. Ghule, S. Khanna, D. Allimuthu, S. Dharavath, Facile synthesis of nitroamino-1,3,4-oxadiazole with azo linkage: a new family of high-performance and biosafe energetic materials, Journal of Materials Chemistry A, 2022, 10, 22803-22811. DOI:10.1039/D2TA07372B, (IF: 14.511), ISSN: 2050-7488.


27. K. Pandey, P. Bhatia, P. Dolui,
Vikas D. Ghule, D. Kumar, Connecting energetic nitropyrazole and nitrobenzene moieties with C-C bonds using suzuki cross-coupling reaction: A novel route to thermally stable energetic materials, Asian Journal of Organic Chemistry 2022, DOI: 10.1002/ajoc.202200543, (IF: 3.116) ISSN: 2193-5807.


28. S. Gadiyaram,
Vikas D. Ghule, A. Ghosh, D. Amilan Jose, An ESIPT-based fluorescent probe for the detection of multiple analytes and a facile approach to discriminate between arsenate and pyrophosphate in water, Sensors & Diagnostics, 2022, DOI: 10.1039/d2sd00157h. ISSN 2635-0998.


29. Anjali Maan,
Vikas D. Ghule, S. Dharavath, Computational evaluation of polycyclic bisoxadiazolo-pyrazine backbone in designing potential energetic materials, Polycyclic Aromatic Compounds, 2022, (IF: 3.744). Online ISSN: 1563-5333. DOI: 10.1080/10406638.2022.2124282.


30. S. Kumar, J. Devi, Vikas D. Ghule, Synthesis, spectral analysis, DFT-assisted studies, in vitro antioxidant and antimicrobial activity of transition metal complexes of hydrazone ligands derived from 4-nitrocinnemaldehyde, Research on Chemical Intermediates, 2022, DOI:10.1007/s11164-022-04769-8. (IF: 3.134). Electronic ISSN: 1568-5675.


31. N. Sandhu, A. P. Singh, S. K. Pandey,
Vikas D. Ghule, R. K. Tittal, R. K. Yadav, R. Shrivastava, Synthesis, characterization of dialkylated erythrosin B derivatives and their utility as a propitious anti-microbial agent, Main Group Chemistry, 2022, DOI: 10.3233/MGC-220026. (IF: 0.641) ISSN 1745-1167.


32. A. K. Yadav,
Vikas D. Ghule, S. Dharavath, Facile Fabrication of Functionalized Pyrimidine Derivatives: Constructing a New Family of High Performance and Less Sensitive Energetic Compounds, Journal of Materials Chemistry A, 2022, 10, 12702-12712, DOI: 10.1039/D2TA02042D, (IF: 14.511), ISSN: 2050-7488.


33. Parasar Kumar,
Vikas D. Ghule and Srinivas Dharavath, 1,3,5-Tris[(2H-tetrazol-5-yl)methyl]isocyanurate and Its Tricationic Salts as Thermostable and Insensitive Energetic Materials, Organic Letters, 2022, 24 (19), 3555–3559, DOI: 10.1021/acs.orglett.2c01225. (IF:6.072), Web Edition ISSN: 1523-7052.


34. Poonam Rani, Kashmiri Lal, Khushal Singh Negi, Rahul Shrivastava, and
Vikas D. Ghule, Synthesis, Characterization, Fluoride Ion Sensing and DFT Studies of Carbamate-Based Bistriazole, Polycyclic Aromatic Compounds, 2022. (IF: 3.744). Online ISSN: 1563-5333. DOI: 10.1080/10406638.2022.2044866.


35. R. S. Mathpati, A. K. Yadav,
Vikas D. Ghule, and S. Dharavath, Potential energetic salts of 5,5′-methylenedi(4H-1,2,4-triazole-3,4-diamine) cation: Synthesis, characterization and detonation performance, Energetic Materials Frontiers, 2022, 3 (2), 90-96. DOI: 10.1016/j.enmf.2022.01.002. ISSN: 2666-6472.

36. A. K. Yadav, P. Kumar, Vikas D. Ghule, and S. Dharavath, Unexpected synthesis of oxadiazole analogues: characterization and energetic properties, Asian Journal of Organic Chemistry 2022, 11 (2), e202100779, DOI: 10.1002/ajoc.202100779, (IF: 3.116) ISSN: 2193-5807.


37. A. Maan,
Vikas D. Ghule, and S. Dharavath, Computational assessment of nitrogen-enriched, stable and insensitive tris(1,2,4,5-tetrazin-3-yl)amine building block for energetic applications, Energetic Materials Frontiers, 2022, 3 (1), 47-52. DOI: 10.1016/j.enmf.2021.11.002. ISSN: 2666-6472.


38. S. Banik, A. K. Yadav, P. Kumar,
Vikas D. Ghule and S. Dharavath, Unfolding the chemistry of FOX-7: Unique energetic material and precursor with numerous possibilities, Chemical Engineering Journal, 2022, 431 (4), 133378. (IF: 16.744). ISSN: 1385-8947.


39. A. K. Yadav,
Vikas D. Ghule, and S. Dharavath, Dianionic nitrogen-rich triazole and tetrazolebased energetic salts: synthesis and detonation performance, Materials Chemistry Frontiers, 2021, 5, 8352-8360. DOI: 10.1039/D1QM01365C. (IF: 8.683). ISSN: 2052-1537.


40. N. Nehra,
Vikas D. Ghule, and R. K. Tittal, Simpler fluorescent probe for homocysteine selective detection, Journal of Molecular Structure 2022, 1250, 131755. (IF: 3.841). ISSN: 0022-2860.


41. N. Nehra, R. K. Tittal, and
Vikas D. Ghule, 1,2,3-Triazoles of 8-Hydroxyquinoline and HBT: Synthesis and Studies (DNA Binding, Antimicrobial, Molecular docking, ADME and DFT), ACS Omega 2021 (IF: 4.132) ISSN: 2470-1343.


42. N. Nehra, R. K. Tittal,
Vikas D. Ghule, Naveen, and K. Lal, Synthesis, antifungal studies, molecular docking, ADME and DNA interaction studies of 4-hydroxyphenyl benzothiazole linked 1,2,3-triazoles. Journal of Molecular Structure, 2021, 1245, 131013. DOI: 10.1016/j.molstruc.2021.131013 (IF: 3.841) ISSN: 0022-2860.


43. A. Maan, Vikas D. Ghule, and S. Dharavath, Tetranitro-diazinodiazines as high energy materials: computational investigation of structural aspects of fused heterocyclic backbone and isomerism, Structural Chemistry, 2021, DOI: 10.1007/s11224-021-01791-1 (IF: 1.795) ISSN:1572-9001.


44. A. Maan, R. S. Mathpati,
Vikas D. Ghule, and S. Dharavath, Effect of multiple oxadiazole rings with nitro and nitramino functionalities on energetic properties: computational analysis of the structure–property relationship, New Journal of Chemistry 2021, 45, 7368-7376 (IF: 3.925) ISSN: 1369-9261.


45. R. S. Mathpati,
Vikas D. Ghule, and S. Dharavath, Nitrogen-rich Compounds with Multiple Azole Rings: Gas Generant, Enthalpy Enhancer and Applicable Cationic Component, Asian Journal of Organic Chemistry 2021, 10(2), 421-427 (IF: 3.116) ISSN: 2193-5807.


46. M. H. Rao,
Vikas D. Ghule, and K. Muralidharan, Nitrogen-rich compounds: s-triazine and tris-triazine derivatives as high energy materials. Journal of Chemical Sciences 2021, 133, 13. DOI: 10.1007/s12039-020-01865-3 (IF: 2.150) ISSN: 0973-7103.


47. Nidhi Nehra, R. K. Tittal,
Vikas D. Ghule, N. Kumar, A. K. Paul, K. Lal, and A. Kumar, CuAAC Mediated Synthesis of 2-HBT Linked Bioactive 1,2,3-Triazole Hybrids: Investigations through Fluorescence, DNA Binding, Molecular Docking, ADME Predictions and DFT Study, ChemistrySelect, 2021, 6(4), 685-694 (IF: 2.307) ISSN: 2365-6549.


48. A. Goel, N. Tomer,
Vikas D. Ghule, and R. Malhotra, A multi-responsive pyranone based Schiff base for the selective, sensitive and competent recognition of copper metal ions, Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2021, 249, 119221 (IF: 4.831) ISSN: 1873-3557.


49. N. Tomer, A. Goel, Vikas D. Ghule, and R. Malhotra, A chromone based Schiff base: An efficient colorimetric sensor for specific detection of Cu (II) ion in real water samples, Journal of Molecular Structure, 2020, 1227, 129549 (IF: 3.841) ISSN: 0022-2860.


50. R. Kaushik, R. Sakla, N. Kumar, A. Ghosh,
Vikas D. Ghule, and D. A. Jose, Multianalytes Sensing Probe: Fluorescent Moisture Detection, Smartphone Assisted Colorimetric Phosgene recognition and Colorimetric Discrimination of Cu2+and Fe3+ ions, Sensors & Actuators: B. Chemical 2021, 328, 129026 (IF: 9.221) ISSN: 1873-3077.


51. Anjali Maan, Ramling S. Mathpati, and
Vikas D. Ghule, Energetic Triazolo-TriazoloFurazano-Pyrazines: A Promising Fused Tetracycle Building Block with Diversified Functionalities and Properties, ChemistrySelect 2020, 5 (28) 8557-8561 (IF: 2.307) ISSN: 2365-6549.


52. Anjali Maan, Ramling S. Mathpati, and
Vikas D. Ghule, Substituted triazolo-triazine derivatives as energetic materials: a computational investigation and assessment, Journal of Molecular Modeling, 2020, 26, 184 (IF: 2.172) ISSN: 0948-5023.


53. Naveen, Ram Kumar Tittal,
Vikas D. Ghule, Poonam Rani, Kashmiri Lal, and Ashwani Kumar, Synthesis, Antimicrobial Activity, Molecular Docking and DFT Study: Aryl-Carbamic Acid 1-Benzyl-1H-[1,2,3]Triazol?4-ylmethyl Esters, ChemistrySelect 2020, 5 (22), 6723-6729 (IF: 2.307) ISSN: 2365-6549.


54. R. S. Mathpati, S. Dharavath, N. Kumar,
Vikas D. Ghule, A. K. Paul, and R. K. Tittal, Design, synthesis and investigations of a series of energetic salts through the variation of amines and concentration of picrate anions, CrystEngComm, 2020, 22, 4842-4852 (IF: 3.756) ISSN: 1466-8033.


55. Naveen, Ram Kumar Tittal, Vikas D. Ghule, Pinki Yadav, Kashmiri Lal, and Ashwani Kumar, Synthesis, antimicrobial potency within silico study of Boc-leucine-1,2,3-triazoles, Steroids, 2020, 161, 108675 (IF: 2.668) ISSN: 0039-128X.


56. Sonal Deswal, Naveen, Ram Kumar Tittal,
Vikas D. Ghule, Kashmiri Lal, and Ashwani Kumar, 5-Fluoro-1H-indole-2,3-dione-triazoles- synthesis, biological activity, molecular docking, and DFT study, Journal of Molecular Structure, 2020, 1209, 127982 (IF: 3.841) ISSN:0022-2860.


57. Naveen, Ram Kumar Tittal,
Vikas D. Ghule, Nikhil Kumar, Lokesh Kumar, Kashmiri Lal, and Ashwani Kumar, Design, synthesis, biological activity, molecular docking and computational studies on novel 1,4-disubstituted-1,2,3-Triazole-Thiosemicarbazone hybrid molecules, Journal of Molecular Structure, 2020, 1209, 127951 (IF: 3.841) ISSN: 0022-2860.


58. Nidhi Nehra, Rahul Kaushik,
Vikas D. Ghule, and Ram Kumar Tittal, Simpler molecular structure as selective & sensitive ESIPT-based fluorescent probe for cysteine and Homocysteine detection with DFT studies, Journal of Molecular Structure, 2020, 1207, 127839 (IF: 3.841) ISSN: 0022-2860.


59. Poonam Rani, Kashmiri Lal, Aruna, Rahul Shrivastava, and
Vikas D. Ghule, Synthesis and characterization of 1,2,3-triazoles-linked urea hybrid sensor for selective sensing of fluoride ion, Journal of Molecular Structure 2020, 1203, 127437 DOI: 10.1016/j.molstruc.2019.127437 (IF: 3.841) ISSN: 0022-2860.


60. Poonam Rani, Kashmiri Lal,
Vikas D. Ghule, and Rahul Shrivastava, Green Synthesis of Triazole-Based Chemosensors and their Efficacy Towards Mercury Sensing, Current Analytical Chemistry, 2020, 16 (6), 738-743 DOI: 10.2174/1573411015666191010122744 (IF: 1.892) ISSN: 1875-6727.


61. Ayushi Nirwan, Alka Devi, and Vikas D. Ghule, Theoretical determination of the effects of various linkages between trinitrobenzenes on energetic properties and sensitivity, Journal of Molecular Modeling 2019, 25, 315 (IF: 2.172) ISSN: 0948-5023.


62. Naveen, Ram Kumar Tittal, Pinki Yadav, Kashmiri Lal,
Vikas D. Ghule, and Ashwani Kumar, Synthesis, Molecular Docking and DFT Studies on Biologically Active 1,4-Disubstituted-1,2,3-Triazoles-Semicarbazone Hybrid Molecules, New Journal of Chemistry 2019, 43, 8052-8058 (IF: 3.925) ISSN: 1369-9261.


63. Ram Kumar Tittal, Ram Nath Ram, Ayushi Nirwan,
Vikas D. Ghule, and Satish Kumar, CuCl/bpy-promoted unusual Z-stereoselective synthesis of trichloroacetic acid phenyl ester for Hirshfeld surface analysis and DFT study, Journal of Molecular Structure 2019, 1185, 300-309 (IF: 3.841) ISSN: 0022-2860.


64. Sonal Deswal, Ram Kumar Tittal, Pinki Yadav, Kashmiri Lal,
Vikas D. Ghule, and Nikhil Kumar, Cellulose-Supported CuI-Nanoparticles-Mediated Green Synthesis of Trifluoromethylbenzoate-Linked Triazoles for Pharmacological & DFT study, ChemistrySelect 2019, 4, 759–764 (IF: 2.307) ISSN: 2365-6549.


65. B. Moses Abraham,
Vikas D. Ghule, and G. Vaitheeswaran, A comparative study of the structure, stability and energetic performance of 5,5’-bitetrazole-1,1’-diolate based energetic ionic salts: future high energy density materials, Physical Chemistry Chemical Physics 2018, 20, 29693–29707 (IF: 3.945) ISSN: 1463-9084.


66. Alka Devi, Ayushi Nirwan, and
Vikas D. Ghule, Replacement of an azide group with carbonylazide in nitrogen-rich energetic materials: searching for possible alternatives with a computational approach. ChemistrySelect 2018, 3, 8651–8655 (IF: 2.307) ISSN: 2365-6549.


67. Ayushi Nirwan and Vikas D. Ghule, Estimation of heats of formation for nitrogen-rich cations using G3, G4, and G4 (MP2) theoretical methods. Theoretical Chemistry Accounts 2018, 137, 11 (IF: 2.154) ISSN: 1432-2234.


68. Ayushi Nirwan and
Vikas D. Ghule, Computational assessment of energetic salts containing 7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole, Journal of Chemical Sciences 2018, 130, 104 (IF:2.150) ISSN: 0973-7103.


69. Alka Devi,
Vikas D. Ghule, Theoretical investigation of (tetrazine-3,6diyl) dihydrazinecarboxamide-based high-nitrogen-containing energetic macromolecules. Journal of Theoretical and Computational Chemistry 2018, 17, 1850028 (IF: 0.939) ISSN: 1793-6888.


70. Ayushi Nirwan, Alka Devi, and
Vikas D. Ghule, Assessment of density prediction methods based on molecular surface electrostatic potential, Journal of Molecular Modeling 2018, 24,166 (IF: 2.172) ISSN: 0948-5023.


71.
Vikas D. Ghule and Ayushi Nirwan, Role of forcefield in density prediction for CHNO explosives, Structural Chemistry 2018, 29, 1375-1382 (IF: 1.795) ISSN: 1572-9001.


72. Alka Devi, D. Srinivas, and
Vikas D. Ghule, Hydrazide salts of di-picric acid as dense and insensitive energetic materials, ChemistrySelect, 2018, 3, 4501 – 4504 (IF: 2.307) ISSN: 2365-6549.


73.
Vikas D. Ghule, Ayushi Nirwan, and Alka Devi, Estimating the densities of benzene-derived explosives using atomic volumes, Journal of Molecular Modeling 2018, 24, 50 (IF: 2.172) ISSN: 0948-5023.


74. M. Hanumantha Rao,
Vikas D. Ghule and K. Muralidharan, 2,4,6-tris[bis(1H-tetrazol-5-yl)amino]-1,3,5-triazine as a nitrogen-rich material, Journal of Chemical Sciences, 2017, 129, 657-661 (IF: 2.150) ISSN: 0973-7103.


75. Papiya Parbat, Alka Devi, and Vikas D. Ghule, Computational Assessment of Nitrogen-rich Peracids: a Family of Peroxide Based Energetic Materials, RSC Advances 2017, 7, 21585–21591 (IF: 3.361) ISSN: 2046-2069.


76. Nagarjuna Kommu, M. Balaraju,
Vikas D. Ghule and Akhila K. Sahoo, Synthetic manifestation of nitro substituted tetrazole-N-(hetero)aryl derivatives and energetic studies, Journal of Materials Chemistry A 2017, 5, 7366–7371 (IF: 14.511) ISSN: 2050-7496.


77. Alka Devi,
Vikas D. Ghule, Hydroxide Derivatives of Tetrazole: Computational Design Approach for High Energy Materials, Canadian Journal of Chemistry, 2016, 94, 738-743 (IF:1.171) ISSN: 1480-3291.


78. N. Yedukondalu,
Vikas D. Ghule and G. Vaitheeswaran, High pressure structural, elastic and vibrational properties of green energetic oxidizer ammonium dinitramide, Journal of Chemical Physics 2016, 145, 064706 (IF: 3.488) ISSN: 1089-7690.


79.
Vikas D. Ghule, Sonal Deswal, Alka Devi, Tittal Ram Kumar, Computer-Aided Design of Energetic Tris(tetrazolyl)amine Derivatives and Salts, Industrial & Engineering Chemistry Research 2016, 55, 875–881 (IF: 4.326) ISSN: 1520-5045.


80. D. Srinivas,
Vikas D. Ghule, Synthesis of nitrate ester and nitramine derivatives of polyfuoro alkyl compounds for high energy materials, RSC Advances 2016, 6, 7712-7716 (IF: 3.361) ISSN: 2046-2069.


81. Alka Devi, Sonal Deswal, Srinivas Dharavath,
Vikas D. Ghule, Molecular design and screening of energetic nitramine derivatives, Journal of Molecular Modeling 2015, 21, 298 (IF: 2.172) ISSN: 0948-5023.


82. Nagarjuna Kommu, A. Sudheer Kumar, J. Raveendra,
Vikas D. Ghule, Akhila K. Sahoo, Synthesis, Characterization and Energetic Studies of Polynitro Aryl-1,2,3-2H-Triazoles, Asian Journal of Organic Chemistry 2016, 5, 138-146 (IF: 3.116) ISSN: 2193-5807.


83. P. M. Jadhav, S. Radhakrishnan, Vikas D. Ghule, R. K. Pandey, Energetic salts from nitroformate ion, Journal of Molecular Modeling 2015, 21, 134 (IF: 2.172) ISSN: 0948-5023.


84. Sonal Deswal,
Vikas D. Ghule, Tittal Ram Kumar, S. Radhakrishnan, Quantum-chemical design of tetrazolo[1,5-b][1,2,4,5]tetrazine based nitrogen-rich energetic materials, Computational and Theoretical Chemistry 2015, 1054, 55–62 (IF: 2.292) ISSN: 2210-2728.


85. D. Srinivas,
Vikas D. Ghule, K. Muralidharan, Energetic salts from phenolate derivatives, New Journal of Chemistry 2014, 38, 3699-3707 (IF: 3.925) ISSN: 1369-9261.


86. S. Radhakrishnan,
Vikas D. Ghule, A. K. Sikder, Computational screening of oxetane monomers for novel hydroxy terminated polyethers, Journal of Molecular Modeling 2014, 20, 2253 (IF: 2.172) ISSN: 0948-5023.


87. A. Sudheer Kumar, K. Nagarjuna,
Vikas D. Ghule, A. K. Sahoo, Synthesis of trifluoromethylsubstituted N-aryl poly-1,2,3-triazole derivatives, Journal of Materials Chemistry A 2014, 2, 7917-7926 (IF: 14.511) ISSN: 2050-7496.


88. D. Srinivas,
Vikas D. Ghule, K. Muralidharan, Synthesis of nitrogen-rich imidazole, 1,2,4-triazole and tetrazole-based compounds, RSC Advances 4, 2014, 7041-7051 (IF: 3.361) ISSN: 2046-2069.


89. K. Nagarjuna,
Vikas D. Ghule, A. Sudheer Kumar, A. K. Sahoo, Triazole substituted nitroarene derivatives: synthesis, characterization and energetic studies, Chemistry-An Asian Journal 9, 2014, 166-178 (IF: 4.839) ISSN: 1861-471X.


90.
Vikas D. Ghule, Computational screening of nitrogen-rich energetic salts based on substituted triazine, Journal of Physical Chemistry C 117, 2013, 16840-16849 (IF: 4.177) ISSN: 1932-7455.

91. Vikas D. Ghule, D. Srinivas, K. Muralidharan, Energetic monoanionic salts of 3,5-dinitropyridin-2-ol, Asian Journal of Organic Chemistry 2, 2013, 662-668 (IF: 3.116) ISSN:2193-5807.


92. N. Yedukondalu,
Vikas D. Ghule and G. Vaitheeswaran, Pressure induced structural phase transition in solid oxidizer KClO3: A first-principles study, Journal of Chemical Physics 138, 2013, 174701 (IF: 3.488) ISSN: 1089-7690.


93. P. M. Jadhav, S. Radhakrishnan,
Vikas D. Ghule, P. Hima, and R. K. Pandey, Quantumchemical studies on thermodynamic feasibility of MTNI processes, Journal of Molecular Modeling 19, 2013, 3027-3033 (IF: 2.172) ISSN: 0948-5023.


94. D. Srinivas,
Vikas D. Ghule, K. Muralidharan, H. Donald B. Jenkins, Tetraanionic nitrogenrich tetrazole based energetic salts, Chemistry-An Asian Journal 8, 2013, 1023-1028 (IF: 4.839) ISSN: 1861-471X.


95. A. Sudheer Kumar,
Vikas D. Ghule, S. Subramanyam, Akhila K. Sahoo, Synthesis of thermally stable energetic 1,2,3-triazole derivatives, Chemistry-A European Journal 19, 2013, 509-518 (IF: 5.020) ISSN: 1521-3765.


96.
Vikas D. Ghule, Studies on energetic properties for nitrotetrazole substituted triazole and oxadiazole derivatives with density functional theory, Molecular Physics 111, 2013, 95-100 (IF: 1.962) ISSN: 1362-3028.


97.
Vikas D. Ghule, S. Radhakrishnan, P. M. Jadhav and S. P. Tewari, Quantum chemical studies on energetic azo bridged azoles. Journal of Energetic Materials 31, 2013, 35-48 (IF: 2.346) ISSN: 1545-8822.


98.
Vikas D. Ghule, Computational studies on energetic properties of trinitro substituted imidazole-triazole and pyrazole-triazole derivatives, Journal of Physical Chemistry A 116, 2012, 9391-9397 (IF: 2.944) ISSN: 1520-5215.


99. D. Srinivas, Vikas D. Ghule, S. P. Tewari, and K. Muralidharan, Synthesis of amino, azido, nitro and nitrogen-rich azole substituted derivatives of 1H-benzotriazole for high energy materials applications, Chemistry- A European Journal 18, 2012, 15031-150 (IF: 5.020) ISSN: 1521-3765.


100. N. Yedukondalu,
Vikas D. Ghule and G. Vaitheeswaran, Computational study of structural, electronic, and optical properties of crystalline NH4N3, Journal of Physical Chemistry C 116, 2012, 16910-16917 (IF: 4.177) ISSN: 1932-7455.


101.
Vikas D. Ghule, Computational studies on the triazole-based high energy materials, Computational and Theoretical Chemistry, 992, 2012, 92-96 (IF: 2.292) ISSN: 2210-2728.


102.
Vikas D. Ghule, D. Srinivas, S. Radhakrishnan, P. M. Jadhav and S. P. Tewari, Computational study on energetic properties of nitro derivatives of furan substituted azoles, Structural Chemistry 23, 2012, 749-754 (IF: 1.795) ISSN: 1572-9001.


103.
Vikas D. Ghule, D. Srinivas, S. Radhakrishnan, P. M. Jadhav and S. P. Tewari, Molecular design of amino-polynitroazole based high energy materials, Journal of Molecular Modeling 18, 2012, 3013-3020 (IF: 2.172) ISSN: 0948-5023.


104.
Vikas D. Ghule, S. Radhakrishnan, P. M. Jadhav and S. P. Tewari, Computational study on substituted s-triazine derivatives as energetic materials, E-Journal of Chemistry (Journal of Chemistry, Hindawi) 9, 2012, 583-592 DOI: 10.1155/2012/717689 (IF: 2.506) ISSN: 2090-9071.


105.
Vikas D. Ghule, S. Radhakrishnan, P. M. Jadhav and S. P. Tewari, Quantumchemical investigation of substituted s-tetrazine derivatives as high energy materials, Bulletin of the Korean Chemical Society 33, 2012, 564-570 (IF: 0.969) ISSN: 1229-5949.


106. Vikas D. Ghule, P. M. Jadhav, S. Radhakrishnan and R. K. Pandey, Computational design and structure-property relationship studies on heptazines. Journal of Molecular Modeling 17, 2011, 2927-2937 (IF: 2.172) ISSN: 0948-5023.


107.
Vikas D. Ghule, S. Radhakrishnan and P. M. Jadhav, Computational studies on tetrazole derivatives as potential high energy materials. Structural Chemistry 22, 2011, 775-782 (IF:1.795) ISSN: 1572-9001.


108.
Vikas D. Ghule, S. Radhakrishnan, P. M. Jadhav and S. P. Tewari, Theoretical studies on nitrogen-rich energetic azoles. Journal of Molecular Modeling 17, 2011, 1507-1515 (IF: 2.172) ISSN: 0948-5023.


109.
Vikas D. Ghule, S. Radhakrishnan, P. M. Jadhav and S. P. Tewari, Theoretical studies on polynitrobicyclo[1.1.1]pentanes in search of novel high energy density materials. Chemical Papers, 65, 2011, 380-388 (IF: 2.146) ISSN: 2585-7290.


110. R. S. Patil, S. Radhakrishnan, P. M. Jadhav,
Vikas D. Ghule and T. Soman, Quantum-chemical studies on TATB processes. Journal of Energetic Materials 28, 2010, 98-113 (IF: 2.346) ISSN: 1545-8822.


111.
Vikas D. Ghule, S. Radhakrishnan, P. M. Jadhav and T. Soman, Molecular dynamics simulations on polythiophenes for chemical sensing applications. Molecular Simulation 36, 2010, 63-68 (IF: 2.178) ISSN: 1029-0435.


112. Vikas D. Ghule, S. Radhakrishnan, P. M. Jadhav, R. S. Patil and S. P. Tewari, Electronic structure calculations and structure-property relationships on aromatic nitro compounds. Advanced Science Letters 4, 2010, 136-141 (IF: 0.311) ISSN: 1936-7317.


113. Vikas D. Ghule, P. M. Jadhav, R. S. Patil, S. Radhakrishnan and T. Soman, Quantum-chemical studies on hexaazaisowurtzitanes. Journal of Physical Chemistry A 114, 2010, 498-503 (IF: 2.944) ISSN: 1520-5215. 

 

Ph.D. Supervised: 04 Completed, 03 Ongoing.

 

Candidate: Ms. Alka Devi

Reg. No. 2K15-NITK-Ph.D/6150047

Title of the Ph.D. Thesis: Computational Investigation of Various High Energy Materials Based on Heterocyclic Backbone and Synthesis of Hydrazide Salts of Picric Acid.

Ph.D. status: Completed.

 

Candidate: Ms. Sonal Deswal

Reg. No. 2K13-NITK-Ph.D/6130100

Title of the Ph.D. Thesis: Computational Design of Nitrogen-rich High Energy Materials and Synthesis of Some N-containing Heterocycles for Pharmacological Studies.

Ph.D. status: Completed.

 

Candidate: Ms. Ayushi Nirwan

Reg. No. 2K16/NITK/PhD/6160039

Title of the Ph.D. Thesis: Computational Assessment of Energetic Properties of Various Neutral and Ionic HEMs.

Ph.D. status: Completed.

 

Candidate: Mr. Ramling S. Mathpati

Reg. No. 2K19-NITK-Ph.D.-61900006

Title of the Ph.D. Thesis: Design and Synthesis of High Energy Materials based on Nitrogen-rich Backbone with Various Explosophoric Groups

Ph.D. status: Completed.

 

Candidate: Ms. Anjali Maan

Reg. No. 2K19-NITK-Ph.D.-61900100

Ph.D. status: Thesis submitted

 

Candidate: Ms. Rimpi Devi

Reg. No. 2K22-NITK-PhD.-62200036

Ph.D. status: Pursuing

 

Candidate: Ms. Kalpana

Reg. No. 2K23-NITK-PhD.-62210015

Ph.D. status: Pursuing

 

Note: Ph. D. position is available for a highly motivated UGC-CSIR NET JRF or GATE qualified candidates.

 

M. Tech. (Molecular Engineering and Advanced Chemical Analysis) Supervised: 02 Completed.

 

Candidate: Ms. Papiya Parbat

Roll no. 31501101

Title of the M.Tech. Thesis: Studies on Nitrogen and Oxygen Containing Compounds for their Photophysical and Energetic properties.

M. Tech. status: Completed.

 

Candidate: Mr. Lungrei Valui

Roll no. 31601103

Title of the M.Tech. Thesis: Computational Characterization of 1,2,4,5-Tetrazine Based High Energy Materials (HEMs).

M. Tech. status: Completed.

 

Sponsored R &D Projects – 

 

Research Project 1:

Title: Quantum-chemical design, synthesis and energetic properties study of tetrazole based high energy materials

Agency: Science &Engineering Research Board (SERB), Department of Science &Technology, Government of India.

Status: Completed.

 

Research Project 2:

Title: Development of Insensitive High Energy Materials Containing Heterocyclic Backbone Substituted with Amino, Azido and Nitro Explosophores.

Agency: ARMREB/CDSW/DRDO

Status: Completed.

 

Research Project 3:

Title: Development of Insensitive High Energy Materials Containing Heterocyclic Backbone Substituted with Amino, Azido and Nitro Explosophores.

Agency: ARMREB/HEM/DRDO

Status: Ongoing.