Research Interests
Theoretical Chemistry,Computational Chemistry, Gas hydrates, Interstellar Chemistry, Computational Designing of Materials,Molecular Dynamics Simulations
BioSketch
Research
Optical and Magnetic Induced Properties of the Multiple Helicene-Fused Porphyrins: A DFT Study
2025
M. Kalavadia and C. N. Ramachandran | ACS
Journal: J. Phys. Chem. A Pages: 8900 , Volumes: 129 ,
Monomers Versus Prenucleation Clusters En Route to Polymorphism of Supramolecular Polymers
2025
D. Elizebath, S. Sharma, S. Varughese, C. N. Ramachandran, and V. K. Praveen | Wiley
Journal: Small Pages: 2405305 , Volumes: 21 ,
Staircase Alignment of Phosphacoumarin Dimers as Alternate n- and p-Type Organic Semiconductors for Photocurrent Generation
2025
M. A. Sk, M. Kumar, Vivek, C. N. Ramachandran, M. Bag and K. K . Sadhu | ACS
Journal: ACS Applied Electronic Materials Pages: 6960 , Volumes: 7 ,
Hydroxyl Radical− π Interaction in a Single Crystal
2025
Mohit Kulshrestha, Abhijit Nandy, Shibdas Banerjee, Srinu Tothadi, CN Ramachandran, Kalyan K Sadhu | ACS
Journal: JACS Au Pages: 61 , Volumes: 5 ,
Computational Studies of the Optoelectronic and Charge Transport Properties of Porphyrin and Corrole‐Based Molecules
2025
A. Dhiman and C. N. Ramachandran | Wiley
Journal: J. Phys. Org. Chemistry Pages: 4673 , Volumes: 38 ,
Effect of Electron-Donating Substituents and an Electric Field on the ∆EST of Selected Imidazopyridine Derivatives: A DFT Study
2024
Paras, Vivek, S. Sharma and C. N. Ramachandran | ACS
Journal: J. Phys. Chem. A Pages: 8428 , Volumes: 128 ,
Spontaneous curvature induction in an artificial bilayer membrane
2024
D. Elizebath, B. Vedhanarayanan, A. Dhiman, R. K. Mishra, C. N. Ramachandran, T. W. Lin, and V. K. Praveen | Wiley
Journal: Angew. Chem. Int. Edn. Pages: 63 , Volumes: 202403900 ,
Water-assisted absorption of CO2 by 3-amino-1-propanol: a mechanistic insight
2024
S. Rawat and C. N. Ramachandran | RSC
Journal: Phys. Chem. Chem. Phys. Pages: 19845 , Volumes: 26 ,
Tuning the electronic and optical properties of phenoxaborin based thermally activated delayed fluorescent materials: A DFT study
2024
Paras and C. N. Ramachandran | Springer
Journal: J. Fluoresc. Pages: 769 , Volumes: 35 ,
One pot oxygen mediated syntheses of stable radicals
2024
M. Kulshrestha, C. N. Ramachandran, R. G. Gonnade and K. K. Sadhu | RSC
Journal: Materials Adv. Pages: 1523 , Volumes: 5 ,
Tuning of the singlet–triplet energy gap of donor-linker-acceptor based thermally activated delayed fluorescent emitters
2024
Paras and C. N. Ramachandran | Springer
Journal: J. Fluoresc. Pages: 1343 , Volumes: 34 ,
Stacking interaction and opto-electronic properties of star-shaped benzotrithiophene and its extended derivatives
2024
A. Dhiman and C. N. Ramachandran | Elsevier
Journal: Chem. Phys. Lett. Pages: 852 , Volumes: 141503 ,
Substitution-induced band shifts and relative population of cis–trans azobenzene
2024
A. Aggarwal, A. Rajyan and C. N. Ramachandran | Springer
Journal: Theor. Chem. Acc. Pages: 62 , Volumes: 143 ,
Conversion of the greenhouse gases CH4 and CO2 to CH3COOH using transition metal Clusters: Two birds with one stone
2024
P. Gangwar and C. N. Ramachandran | Elsevier
Journal: Chem. Phys. Lett. Pages: 141339 , Volumes: 846 ,
Probing the interaction of NO with C60: Comparison between endohedral and exohedral complexes
2024
H. M. Abdulla, P. Gangwar, P. K. Sajith and C. N. Ramachandran | ACS
Journal: J. Phys. Chem. A Pages: 3598 , Volumes: 127 ,
Behavior of HF and (HF)2 inside a fullerene cage: An in silico study using different density functionals
2024
A. Poddar, C. N. Ramachandran and P. K Chattaraj | Wiley
Journal: Int. J. Quant. Chem. Pages: 27067 , Volumes: 123 ,
Honors And Awards
Teaching Engagements
Students
Computational Studies of Selected Gas Hydrates and Hydrate Melts
01 Jul 2013 - 30 Jun 2018
Other Supervisors: NIL, Scholar: Surinder Pal Kaur
Molecular Dynamics Studies of Mixed Gas Hydrate Melts and Aqueous Interfaces
01 Jan 2014 - 30 Jun 2018
Other Supervisors: NIL, 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: NIL, Scholar: Ankita Joshi
Computational Studies of the Endohedral and Exohedral Complexes of Fullerenes and Carbon Nanotubes
01 Jul 2014 - 01 Jan 2020
Other Supervisors: NIL, Scholar: Vinit
Computational studies of carbon intercalated gold clusters
01 Jan 2016 - 31 Dec 2021
Other Supervisors: NIL, Scholar: Mohan Tiwari
Charge transport properties of selected molecules sandwiched between electrodes
17 Jul 2018 - 16 Jul 2024
Other Supervisors: NIL, Scholar: Angat Dhiman
Density functional studies of the mitigation of some environmentally hazardous gases
17 Jul 2018 - 11 Jul 2024
Other Supervisors: NIL, Scholar: Peaush Gangwar
Computational Designing of Donor-Linker-Acceptor Based Thermally Delayed Fluorescent Molecules
15 Apr 2019 - 10 Jul 2024
Other Supervisors: NIL, Scholar: Paras
Modelling of CO2 Absorption by Aqueous Amines
12 Jul 2019 - Present
Other Supervisors: NIL, Scholar: Shivam Rawat
Computational Studies of Clustering of Water and Gas Molecules in Presence of Aminoacids in
26 Dec 2019 - Present
Other Supervisors: NIL, Scholar: Aashu
Modeling of Supramolecular Materials for Various Applications
18 Jul 2022 - Present
Other Supervisors: NIL, Scholar: Sanjay Sharma
Computational Designing of Materials for Biomedical Applications
18 Jul 2022 - Present
Other Supervisors: NIL, Scholar: Vivek
Molecules in Excited States
17 Jul 2024 - Present
Other Supervisors: NIL, Scholar: Abhishek Raman
Gas Hydrates
17 Jul 2024 - Present
Other Supervisors: NIL, Scholar: Nitin Chauhan
Molecules in Space
17 Jul 2024 - Present
Other Supervisors: NIL, Scholar: Manisha Singh
Molecules in Space, India
15 Jul 2025 - Present
Other Supervisors: , Scholar: Santosh Kumar
Miscellaneous
Congratulations to Sanjay Sharma for receiving the Best Poster Award in M2CHEMSF-2025
