Ramachandran C.N.
Associate professor
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Interests
Theoretical Chemistry,Computational Chemistry, Gas hydrates, Computational Designing of Materials,Molecular Dynamics Simulations
ramcn@cy.iitr.ac.in
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01332284773
Biosketch
Educational Details
Professional Background
Administrative Positions

Research
Projects
Papers
Books
Collaborations

Honours and Awards
Honors
Memberships

Teaching Engagements
Teaching Engagements

Students
Supervisions
Associate Scholars

Miscellaneous
Events
Visits
Miscellaneous
BioSketch
Educational Details
Indian Institute of Technology Kanpur
2008
Ph.D, Chemistry
University of Calicut
2002
M.Phil, Chemistry
University of Calicut
1999
M.Sc, Chemistry
Administrative Positions
Associate Dean of Academic Affairs (Curriculum)
01 Sep 2020 - Present
IIT Roorkee
Associate Professor
17 Dec 2019 - Present
IIT Roorkee
Assistant Professor
29 Nov 2012 - 16 Dec 2019
IIT Roorkee
Research
Projects
TOPIC START DATE FIELD DESCRIPTION FINANCIAL OUTLAY FUNDING AGENCY OTHER OFFICERS
Computational Designing of Stimuli Responsive Complexes Based on Carbon Nanostructures 01 Jan 2018 Computational Designing of Stimuli Responsive Complexes Based on Carbon Nanostructures 43.24 Lakhs SERB ---
Structure, Stability and Properties of Carbon Intercalated Gold, Palladium and Platinum Clusters 01 Jan 2017 Structure, Stability and Properties of Carbon Intercalated Gold, Palladium and Platinum Clusters - CSIR
Formation, Structure, Stability and the Thermodynamic Properties of Mixed Gashydrates 01 Jan 2013 Formation, Structure, Stability and the Thermodynamic Properties of Mixed Gashydrates 28.75 SERB
Effect of cage substitution and endohedral doping on the alignment and the properties of fullerenes 01 Jan 2013 Effect of cage substitution and endohedral doping on the alignment and the properties of fullerenes 9.0 SRIC




Honors And Awards
Honors
European Physical Journal-D
2021
Guest Editor
IIT Roorkee
2019
Outstanding Teacher Award
Students
SuperVisions
Computational Studies of Selected Gas Hydrates and Hydrate Melts
01 Jul 2013 - 30 Jun 2018
Other Supervisors: -, Scholar: Surinder Pal Kaur
Molecular Dynamics Studies of Mixed Gas Hydrate Melts and Aqueous Interfaces
01 Jan 2014 - 30 Jun 2018
Other Supervisors: ---, Scholar: Sujith K S
Structure, stability and properties of the Pi-Pi stacking complexes of carbon nanotubes
01 Jul 2014 - 01 Dec 2019
Other Supervisors: -, Scholar: Ankita Joshi
Computational Studies of the Endohedral and Exohedral Complexes of Fullerenes and Carbon Nanotubes
01 Jul 2014 - 01 Jan 2020
Other Supervisors: -, Scholar: Vinit
Computational studies of carbon intercalated gold clusters
01 Jan 2016 - 31 Dec 2021
Other Supervisors: , Scholar: Mohan Tiwari
Miscellaneous
Events
3rd North West Meeting on Spectroscopy, Structure and Dynamics (SSD-2019)
04 Aug 2020 - Present
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Spin Density Transfer in Endohedral Heterofullerenes
01 Jan 2019 - Present
Effect of Hydrate Inhibitors in the Bubble Formation of CO2-CH4 Mixed Gas Hydrates
01 Jan 2018 - Present
Endohdral and Exohedral Complexes of Indigo with Carbon Nanotubes
01 Jan 2018 - Present
Modeling of Weakly Interacting Systems
01 Jan 2018 - Present
Structure, Stability and Properties of Mixed Gas Hydrates and Their Melts
01 Jan 2019 - Present
Endohedral and Exohedral Complexes of Fullerenes and Carbon Nanotubes
01 Jan 2017 - Present
Modeling of Gas Hydrates and Their Melts
01 Jan 2018 - Present
Comments

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

Refereed Journal Papers
  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+, AMP2-,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