1. Mohan Tiwari and C. N. Ramachandran, Clustering of Auro-acetylenes via C-Au...π interactions: Gold-Hydrogen Analogy, Chem, Phys. Lett., 2022, 793, 139387
2. Peaush Gangwar, Mohan Tiwari, Ankita Narwal and C. N. Ramachandran, Density Functional Studies on the Conversion of Hydrogen Cyanide to Vinylisocyanide Using Cabon Supported Platinum Catalysts, Comp. Theor. Chem., 2021, 1205, 113442
3. Angat Dhiman and C. N. Ramachandran, Cis-Trans Isomerisation and Absorption Properties of the Ring Extended Azobenzene, Mol. Phys., 2021,119, 1966113
4. V. Aquilanti, H. E. Montgomery, C. N. Ramachandran and N. Sathyamurthy,Atoms and Molecules in A Confined Environment Eur. Phys. Journ. D., 2021, 75, 1-3
5. Anshul Aggarwal, Paras and C. N. Ramachandran,Stacked Dimers of Fe-Porphyrin With Hydrazine and Pyrazine as Linkers, Chem. Phys. Lett., 2021, 779, 138826
6. Mohan Tiwari and C. N. Ramachandran, Density Functional Studies of the Catalytic Oxidation of CO Using Small Aurocarbons,  Chem. Phys. Impact., 2021,2,100023 (1-7).
7. Peaush Gangwar, P. K. Sajith and C. N. RamachandranClustering of Carbon Dioxide  Around Zinc Oxide Clusters, Chem. Phys. Lett., 2021, 771,138499-138504.
8. Mohan Tiwari and C. N. Ramachanran, Hydracyanation of Acetylene on Carbon Intercalated Gold Clusters: Co-operativity and Site Specificity , Chem. Phys. Lett., 2020,761,138059-138067
9. R. Sharma, A. Bansal, C. N. Ramachandran and P. Mohanty, Multi Functional Triazine Based Nanoporous Polymer as Versatile Organocatalyst for CO2 Utilization and C-C Bond Formation, Chem. Commun., 2019, 55, 11607-11610.
10. Ankita Joshi and C. N. Ramachandran, Opto-electronic and Charge Transport Properties of the Complex of Carbon Nanotube with Perylene Bisimide, Int. J. Quant. Chem., 2019, 119,26026.
11. P. R. Remya, B. K. Mishra, C. N. Ramachandran and N. Sathyamurthy, Effect of Confinement on Structure, Energy and Vibrational Spectra of (HF)n, n = 1-4. Chem. Phys. Lett., 2019, 733, 136670-136675.
12. Ankita Joshi and C. N. Ramachandran, High-bias Negative Differential Resistance Effect in Pure, Doped and Co-doped Carbon Nanotubes Connected to Boron Nitride Nanotubes,  Physica. E. Low. Dim. Syst. and Nanostruct., 2019, 113,1-7
13. Mohan Tiwari, Vinit and C. N. Ramachandran, Catalytic Reduction of SO2 by CO Using Carbon Intercalated Gold Clusters, Chem. Phys. Lett., 2019, 726,111-116.
14. M. Chaudhary, R. Muhammad, C. N. Ramachandran and P. Mohanty, Nitrogen Amelioration-Driven Carbon Dioxide Capture by Nanoporous Polytriazine, Langmuir, 2019, 35, 4893-4901.
15. Vinit and C. N. Ramachandran, Spin Density Transfer from Guest to Host in Endohedral Heterofullerene Dimers, Phys. Chem. Chem. Phys., 2019, 21, 7605-7612.
16. H. Jain, N. Deswal, Ankita Joshi, C. N. Ramachandran, R. Kumar, Triazole Appended [2,3-c] Pyrazolone Based Colorimetric Chemosensors for Recognition of Fe3+ ions and Their Molecular Logic Gate Behaviour, Anal. Methods., 2019, 11, 3230-3243.
17. P. Gahlyan, R. Bawa, H. Jain, M. Dalela, Ankita Joshi, C. N. Ramachandran, R. Kumar, Isatin-Triazole Functionalized Rhodamine:  A Dual Sensor for Cu²⁺ and Fe³⁺ Ions and its Applications in Cell Imaging, Chem. Select., 2019, 4, 7532-7540.
18. H. Jain, Ankita Joshi, C. N. Ramachandran and R. Kumar, Synthesis of a Highly Efficient Multifunctional Copper (II)-pyridyl Complex for Adsorption and Photocatalytic Degradation of Organic Dyes, Chem. Select., 2019, 4, 4952-4961.
19. Ankita Joshi and C. N. Ramachandran, Optoelectronic Properties of Cycloparaphenylene-Carbon Nanotube BAsed Molecular Architectures, J. Phys. Chem. C., 2018, 122, 19904-19912.
20. Surinder Pal Kaur and C. N. Ramachandran, Hydrogen-Tetrahydrofuran Mixed Hydrates: A Computational Study, Int. J. Hydrogen Energy, 2018,
21. K. S. Sujith, Km Suman Lata and C. N. Ramachandran, Adsorption and Dissolution of Methane at the Surface of the Methanol-Water Mixture, Fluid Phase Equilibria, 2018, 473, 310-317.
22. K.S. Sujith and C. N. Ramachandran, Effect of Surface Roughness on Adsorption and Distribution of Methane at the Water-Methane Interface, J. Mol. Liquids, 2018, 266, 856-863.
23. Ankita Joshi and C. N. Ramachandran, Structural, Optoelectronic and Charge Tranport Properties of the Complexes of Indigo Encapsulated in Carbon Nanotubes, Phys. Chem. Chem. Phys., 2018, 20, 15158-15167.
24. Rakesh Kumar, Harshita Jain, Parveen Gahlyan, Ankita Joshi and C. N. Ramachandran, A Highly Sensitive Pyridine-dicarbohydrazide Based Chemosensor for Colorimetric Recognition of Cu²⁺, AMP^2-,F^- and AcO^- Ions, New. J. Chem., 2018, 42, 8567-8576.
25. Surinder Pal Kaur, K. S. Sujith and C. N. Ramachandran, Formation of Nanobubble and its Effect on the Structural Ordering of Water in CH₄-N₂-CO₂-H₂O Mixture, Phys. Chem. Chem. Phys., 2018, 20, 9157-9166.
26. Surinder Pal Kaur and C. N. Ramachandran, Host-Guest and Guest-Guest Interactions in Noble Gas Hydrates, Mol. Phys., 2018, 1, 54-63  
27. Ankita Joshi and C. N. Ramachandran, A Comprehensive Study of the Optoelectronic Properties of  Donor-Acceptor Based Derivatives of 1,3,4-Oxadiazole, Chem. Phys. Lett., 2017, 679, 102-111.
28. Vinit and C. N. Ramachandran, Structure, Stability and Properties of Boron Encapsulated Complexes of C₆₀, C₅₉B and C₅₉N, J. Phys. Chem. A., 2017, 121, 1708-1714.
29. A. P. Sivadas, D. S. Shankar Rao, N. S. Saleesh Kumar, D. D. Prabhu, S. Varghese, C. N. Ramachandran, R. M. Ongugal, S. K. Prasad, Suresh Das, 'Self-assembling and Luminescent Properties of Chiral Bis-Oxadiazole Derivatives in Solution and Liquid Crystalline Phases', J. Phys. Chem. B., 2017, 121, 1922-1929.
30. K. S. Sujith and C. N. Ramachandran, 'Natural Gas Evolution in a Gas Hydrate Melt: Effect of Thermodynamic Hydrate Inhibitors', J. Phys. Chem. B., 2017, 121, 153-163.
31. Vinit, K. S. Sujith and C. N. Ramachandran, 'Spin-Spin Coupling in Nitrogen Atom Encapsulated C₆₀, C₅₉N and Their Respective Dimers', J. Phys. Chem. A., 2016, 120, 6990-6997.
32. Manisha Prakashni, Ankita Joshi and C. N. Ramachandran, 'Electronic and Optical Absorption Properties of the Derivatives of 1,3,4-Oxadiazole', Chemical Data. Collections, 2016, 5, 88-95.
33. Surinder Pal Kaur and C. N. Ramachandran, 'Effect of Multiple and Adjacent Cage Occupancies on Host-Guest Interaction and NMR Chemical Shifts in Gashydrates", Comp. Theor. Chem., 2016, 1092, 57-67.
34. Ankita Joshi and C. N. Ramachandran,'Charge Transport and Optical Properties of the Complexes of Indigo Wrapped Over Carbon Nanotubes', Phys. Chem. Chem. Phys., 2016, 18, 14040-14045.
35. K. S. Sujith and C. N. Ramachandran, 'Carbon Dioxide Induced Bubble Formation in a CH₄-CO₂-H₂O Ternary System: A molecular Simulation Study, Phys. Chem. Chem. Phys, 2016, 18, 3746-3754.
36. V. Shilpi,  Surinder Pal Kaur and C. N. Ramachandran, 'Density Functional Studies of Fused Dodecahedral and Irregular Dodecahedral Cages', RSC Advances, 2015, 5, 74270-74273.
37. V. Shilpi, Surinder Pal Kaur and C. N. Ramachandran, 'Revisiting the Structural Pattern and the Stability of (H₂O)₂₀ Clusters Using the Dispersion Corrected Density Functional Method,  Chem. Phys. Lett., 2015, 626, 39-42.
38. P. Kumar, C. N. Ramachandran, B. K. Mishra, N. Sathyamurthy, Interaction of Rare Gas Dimers in the Confines of a Carbon Nanotube, Chem. Phys. Lett., 2015, 618, 42-45.
39. A. Equbal, S. Sreenivasan, C. N. Ramachandran, N. Sathyamurthy, Encapsulation of Paramagnetic Diatomic Molecules B₂, O₂ and Ge₂ inside C₆₀, Chem. Phys. Lett., 2015, 610, 251-255

Congratulations to Angat Dhiman for receiving the Best Poster Award in the ChemDay-2021 

Congratulations to Ankita Joshi for receiving the Best Poster Award in the Theoretical Chemistry Symposium (TCS-2019).