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Ramachandran C N
C N Ramachandran Assistant Professor ramcnfcy[at] 01332284773
Areas of Interest
  • Theoretical Chemistry,Computational Chemistry, Gas hydrates, Computational Designing of Materials,Molecular Dynamics Simulations
Professional Background
2012On GoingAssistant ProfessorIndian Institute of Technology Roorkee
20122012Post Doctoral Research AssociateUniversity of Ontario Institute of Technology (UOIT) Canada
20112012Assistant Professor (Contractual)Indira Gandhi National Tribal University Amarkantak, Madhyapradesh, India
20092011Post Doctoral Research AssociateThe State University of New York, USA
20072008Post Doctoral Research AssociateUniversity of Perugia, Italy
Educational Details
Ph.DChemistryIndian Institute of Technology Kanpur2008
M.PhilChemistryUniversity of Calicut2002
M.ScChemistryUniversity of Calicut1999
Sponsored Research Projects
TopicFunding AgencyYear
Computational Designing of Stimuli Responsive Complexes Based on Carbon NanostructuresSERB2018
Structure, Stability and Properties of Carbon Intercalated Gold, Palladium and Platinum ClustersCSIR2017
Formation, Structure, Stability and the Thermodynamic Properties of Mixed Gashydrates SERB2013
Effect of cage substitution and endohedral doping on the alignment and the properties of fullerenesSRIC2013
Participation in seminars
NamePlaceSponsored ByDate
Advanced Simulation Methods (ASM-2019)IIT Delhi ---08/03/2019
16th Theoretical Chemistry Symposium (TCS-2019)BITS Pilani----13/02/2019
International Conference on Physics and Chemistry of Materials (ICCPM-2019)St: Thomas College Thrissur, KeralaDST-KCSTE-ACS-RSC20/12/2018
National Seminar on Material Science and Technology for Sustainable FutureMalabar Christian College, Calicut, KeralaMalabar Christian College, Calicut, Kerala18/12/2018
North West Meeting on Spectroscopy, Structure and Dynamics SDD-2018MNIT Jaipur-16/03/2018
Spectroscopy, Dynamics and Molecular Clusters (SDMC-2018)Dooars, Darjeeling, West BengalIISER Kolkota, SINP Kolkota, IACS Kolkota15/02/2018
8th Asia Pacific Conference on Theoretical and Computational Chemistry IIT MumbaiIIT Mumbai15/12/2017
Workshop on Computational ChemistryMG University, Kottayam-22/06/2017
North West Meeting on Spectroscopy, Structure and Dynamics SDD-2018BITS Pilani-17/2/2017
Theoretical Chemistry SymposiumHyderabadHyderabad Central University and IICT Hyderabad13/12/2016
Asian Academic SeminarKolkataJSPS-DST6/3/2015
Theoretical Chemistry SymposiumPUNENCL PUNE & IISER PUNE18/12/2014
Research Scholar Groups
Scholar NameInterest
Ankita JoshiOptoelectronic properties of carbon nanotube based materials
VinitSpin density transfer in endohedral complexes of fullerenes
Mohan TiwariStructure and properties of carbon intercalated metal clusters
Angat DhimanSingle molecule conductance
Peaush GangwarCatalytic reduction of CO2 using metal complexes
ParasOptical properties of molecules in their excited state
Shivam RawatMaterials Simulations
PHDs Supervised
TopicScholar NameStatus of PHDRegistration Year
Computational Studies of Selected Gas Hydrates and Hydrate MeltsSurinder Pal KaurA2013
Molecular Dynamics Studies of Mixed Gas Hydrate Melts and Aqueous InterfacesSujith K SA2014
Courses or Conferences Organised
Conference NameSponsored ByDate
3rd North West Meeting on Spectroscopy, Structure and Dynamics (SSD-2019)-----5-7-Apr-19
Special Lectures Delivered
Spin Density Transfer in Endohedral HeterofullerenesIIT Delhi09/03/2019
Effect of Hydrate Inhibitors in the Bubble Formation of CO2-CH4 Mixed Gas HydratesSt: Thomas College Thrissur, Kerala20/12/2018
Endohdral and Exohedral Complexes of Indigo with Carbon NanotubesMalabar Christian College, Calicut, Kerala18/12/2018
Modeling of Weakly Interacting SystemsIIT Ropar10/07/2018
Structure, Stability and Properties of Mixed Gas Hydrates and Their MeltsBITS Pilani13/02/2019
Endohedral and Exohedral Complexes of Fullerenes and Carbon NanotubesBITS PILANI18/03/2017
Modeling of Gas Hydrates and Their MeltsMNIT Jaipur16/03/2018
Refereed Journal Papers
  1. Multi Functional Triazine Based Nanoporous Polymer as Versatile Organocatalyst for CO2 Utilization and C-C Bond Formation, R. Sharma, A. Bansal, C. N. Ramachandran and P. Mohanty, Chem. Commun., 2019, DOI:10.1039/C9.CC04975D.
  2. A. 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,
  3. 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.
  4. A. 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
  5. M. Tiwari, Vinit and C. N. Ramachandran, Catalytic Reduction of SO2 by CO Using Carbon Intercalated Gold Clusters, Chem. Phys. Lett., 2019, 726,111-116.
  6. M. Chaudhary, R. Muhammad, C. N. Ramachandran and P. Mohanty, Nitrogen Amelioration-Driven Carbon Dioxide Capture by Nanoporous Polytriazine, Langmuir, 2019, 35, 4893-4901.
  7. Vinit and C. N. Ramachandran, Spin Density Transfer from Guest to Host in Endohedral Heterofullerene Dimers, Phys. Chem. Chem. Phys., 2019, 21, 7605-7612.
  8. H. Jain, N. Deswal, A. 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.
  9. P. Gahlyan, R. Bawa, H. Jain, M. Dalela, A. 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.
  10. H. Jain, A. 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.
  11. Ankita Joshi and C. N. Ramachandran, Optoelectronic Properties of Cycloparaphenylene-Carbon Nanotube BAsed Molecular Architectures, J. Phys. Chem. C., 2018, 122, 19904-19912.
  12. Surinder Pal Kaur and C. N. Ramachandran, Hydrogen-Tetrahydrofuran Mixed Hydrates: A Computational Study, Int. J. Hydrogen Energy, 2018,
  13. 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.
  14. 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.
  15. 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.
  16. Rakesh Kumar, Harshita Jain, Parveen Gahlyan, Ankita Joshi and C. N. Ramachandran, A Highly Sensitive Pyridine-dicarbohydrazide Based Chemosensor for Colorimetric Recognition of Cu2+, AMP2-,F- and AcO- Ions, New. J. Chem., 2018, 42, 8567-8576.
  17. 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.
  18. Surinder Pal Kaur and C. N. Ramachandran, Host-Guest and Guest-Guest Interactions in Noble Gas Hydrates, Mol. Phys., 2018, 1, 54-63  
  19. 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.
  20. 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.
  21. 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.
  22. 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.
  23. 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.
  24. M. Prakashni, A. 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.
  25. 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.
  26. 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.
  27. 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.
  28. V. Shilpi,  S. P. Kaur and C. N. Ramachandran, 'Density Functional Studies of Fused Dodecahedral and Irregular Dodecahedral Cages', RSC Advances, 2015, 5, 74270-74273.
  29. V. Shilpi, S. P. 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.
  30. 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.
  31. 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


  • There is an immediate vacancy of a JRF in a project funded by SERB. For details contact at
  • Congratulations to Ankita Joshi for receiving the Best Poster Award in the Theoretical Chemistry Symposium (TCS-2019).