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From GITAM (Deemed to be University)
Light atom influenced room temperature phosphorescence in functionalized benzophenones: experimental and theoretical correlations
Anila M. Menon,a Debranjan Hati,b Ankita Kumari,c Swadhin Garain,b DurgeshPandey,c Rahul Shukla,e Dibyajyoti Ghosh*cd and Deepak Chopra *a
J. Mater. Chem. C, 2026, Advance Article
Metal Meets Nucleobase: A Cd(II)–Adenine Complex withBridging Supramolecular Architectures and AntibacterialActivity
Sourav Nath, Tanushree Sen, Vishal Kumar Deb, Toufique Shahnowaz, Souryadeep Mukherjee, Werner Kaminsky, Subhadip Roy, Rahul Shukla, Suman Adhikari
ChemPlusChem 2026, 91, e202500498
The impact of electron-donating and withdrawing groups on diketopyrrolopyrrole-based dye sensitizers: A quantum chemical analysis
Anjali Devi Vasarla, Abhishek Dhar, Rahul Shukla, Anik Sen,*
Contribution of Nonaxial n→ σ* Orbital Interactions in Tetrel Bonding: A Case Study on Si… N Interactions
Anjali Devi Vasarla, Anik Sen,* Rahul Shukla*
Photomechanical B← N Molecular Crystals: From Single-Crystal-to-Single-Crystal [2+ 2] Photodimerization to Polymerization
Subhrajyoti Bhandary,* Rahul Shukla, Anna M Kaczmarek, Kristof Van Hecke*
The origin of synthons and supramolecular motifs: beyond atoms and functional groups
Rahul Shukla, Emmanuel Aubert, Mariya Brezgunova, Sébastien Lebègue, Marc Fourmiguéc, Enrique Espinosa*
Insights into the spodium bonding characteristics of a bactericidal Hg (ii) complex
Afzal Hussain Sheikh, Rizwana Begum Choudhury, Vishal Kumar Deb, Toufique Shahnowaz, Souryadeep Mukherjee, Kousik Pramanick, Werner Kaminsky, Nurul Alam Choudhury, Subhadip Roy,* Rahul Shukla,* Atash V Gurbanov, Ghodrat Mahmoudi,* Suman Adhikari*
Quantum chemical design and analysis of photoactive CO-Releasing materials using heterocyclic Moieties
Anik Sen,* Rahul Shukla,*
Quantitative Characterization of Fluorine-Centered Noncovalent Interactions in Crystalline Benzanilides
Pradip Kumar Mondal, Rahul Shukla,* Saurish Khandelwal, Kartikay Sharma, Shivani Gonde, Subha Biswas, Shubham Som, Deepak Chopra*
Hydrogen- and halogen-bonding-directed trimeric supramolecular motifs in dihalogenated 1,2,4-triazoles
Rahul Shukla,* Anik Sen*
Donor effect on the B ← N dative bond directed dye sensitized solar cell application
Anil Kumar Behera a, Preeti Nanda Sahu, Rahul Shukla,* Anik Sen*
Single-Crystal-to-Single-Crystal Photosynthesis of Supramolecular Organoboron Polymers with Dynamic Effects
Subhrajyoti Bhandary,* Marek Beliš, Rahul Shukla, Laurens Bourda, Anna M Kaczmarek, Kristof Van Hecke
Exploring the electron donor–acceptor duality of B3N3 in noncovalent interactions
Rahul Shukla* and Anik Sen*
Quantitative evaluation of the electronic features involving the “Nucleophilic-Electrophilic” Character in the Chalcogen Sulfur
Koushik Mandal, Avantika Hasija, Rahul Shukla,* Venkatesha R. Hathwar* and Deepak Chopra*
Benzoxanthones derivatives: insight into oxalic acid catalyzed synthesis, crystallographic analysis and potential application in dye-sensitized solar cell
Pooja Bedi, Anil Kumar Behera, Abdullah K Alanazi, Manas Roy, Suvadra Das, Rahul Shukla,* Tanay Pramanik* and Anik Sen*
Yet another perspective on hole interactions, part II: lp-hole vs. lp-hole interactions
Rahul Shukla,* Dongkun Yu, Tiancheng Mu and Sebastian Kozuch
Before joining GITAM (Deemed to be University)
26. Subhrajyoti Bhandary, Rahul Shukla, Kristof Van Hecke,* CrystEngComm, 2023, 24, 1695-1699.
25. Naziha Tarannam,# Rahul Shukla,# Sebastian Kozuch,* Phys. Chem. Chem. Phys. 2021, 23, 199419963. [ #= Equal Contribution]
24. Rahul Shukla, Deepak Chopra,* Curr. Sci. 2021, 120, 1848-1853,
23. Rahul Shukla, Prabal Bandopadhyay, Manisha Sathe, Deepak Chopra,* J. Chem. Sci. 2020, 132, 19.
22. Rahul Shukla, Arun Dhaka, Emmanuel Aubert, Vishnu Vijayakumar-Syamala, Olivier Jeannin, Marc Fourmigue,* Enrique Espinosa,* Cryst. Growth Des. 2020, 20, 7704-7725,
21. Rahul Shukla, Christian Ruzié, Guillaume Schweicher, Alan R Kennedy, Yves H Geerts, Deepak Chopra, Basab Chattopadhyay,*Acta Cryst. 2019, B75, 71-75.
20. Pradip Kumar Mondal, Rahul Shukla, Subha Biswas, Deepak Chopra,* Acta Cryst. 2018, B74, 574-591.
19. Rahul Shukla, Nicolas Claiser, Mohamed Souhassou, Claude Lecomte,* Shah Jaimin Balkrishna, Sangit Kumar, Deepak Chopra,* IUCrJ, 2018, 5, 647-653.
18. Rahul Shukla, Paramveer Singh, Piyush Panini, Deepak Chopra,* Acta Cryst, 2018, B74, 376-384.
17. Rahul Shukla, Susanta K Nayak, Deepak Chopra,* M Kishore Reddy, TN Guru Row, J. Mol. Struc. 2018, 1164, 280-288.
16. Rahul Shukla, Susanta K Nayak, Deepak Chopra,* M Kishore Reddy, Tayur N Guru Row, J. Chem. Sci. 2018, 130, 1-11.
15. Rahul Shukla, Deepak Chopra*, CrystEngComm, 2018, 20, 3308-3312.
14. Rahul Shukla, TP Mohan, B Vishalakshi, Deepak Chopra*, J. Mol. Struc. 2017, 1134, 426-434.
13. Rahul Shukla, Piyush Panini, C John McAdam, Brian H Robinson, Jim Simpson,* Tei Tagg, Deepak Chopra,* J. Mol. Struc. 2017, 1131, 16-24.
12. Rahul Shukla, Imtiaz Khan, Aliya Ibrar,* Jim Simpson,* Deepak Chopra, * CrystEngComm, 2017, 19, 3485-3498.
11. Rahul Shukla, Aamer Saeed,* Jim Simpson,* Deepak Chopra,* CrystEngComm, 2017, 19, 5473-5491.
10. Arkalekha Mandal, Bhisma K Patel,* Rahul Shukla, Deepak Chopra,* CrystEngComm, 2017, 19, 1607-1619.
9. Rahul Shukla, Deepak Chopra,* Cryst. Growth Des. 2016, 16, 6734-6742.
8. Rahul Shukla, Deepak Chopra,* J. Chem. Sci. 2016, 128, 1589-1596.
7. Rahul Shukla, Deepak Chopra,* Phys. Chem. Chem. Phys. 2016, 18, 29946-29954.
6. Rahul Shukla, Deepak Chopra,* Phys. Chem. Chem. Phys. 2016, 18, 13820-13829.
5. Rahul Shukla, Deepak Chopra,* J. Phys. Chem. B, 2015, 119, 14857-14870.
4. Rahul Shukla, Deepak Chopra,* CrystEngComm, 2015, 17, 3596-3609.
3. Piyush Panini, Rahul Shukla, TP Mohan, B Vishalakshi, Deepak Chopra,* J. Chem. Sci. 2014, 126, 1337-1345.
2. Shah Jaimin Balkrishna, Rahul Shukla, Jerry P Jasinski, Sangit Kumar,* Proc. Nat. Acad. of Sci., India, Sec. A: Phys. Sci. 2014, 84, 165-177.
1. Rahul Shukla, TP Mohan, B Vishalakshi, Deepak Chopra,* CrystEngComm, 2014, 16, 1702-1713.
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