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INDIAN INSTITUTE OF TECHNOLOGY ROORKEE
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Ramachandran C.N.
Associate Professor
ramcn[at]cy.iitr.ac.in
01332284773
Research Interests
Biosketch
Educational Details
Professional Background
Research
Projects
Publications
Patents
Books
Collaborations
Honours and Awards
Honors
Memberships
Teaching Engagements
Teaching Engagements
Students
Supervisions
Associate Scholars
Miscellaneous
Events
Visits
Administrative Positions
Miscellaneous
Research Interests
Theoretical Chemistry,Computational Chemistry, Gas hydrates, Interstellar Chemistry, Computational Designing of Materials,Molecular Dynamics Simulations
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
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




Publications

Paras, Vivek, S. Sharma, C.N. Ramachandran

Effect of Electron-Donating Substituents and an Electric Field on the ΔEST of Selected Imidazopyridine Derivatives: A DFT Study

J. Phys. Chem. A, 2024,   doi.10.1021/acs.jpca.4c04355

 

D. Elizebath, B. Vedhanarayanan, A. Dhiman, R. K. Mishra, C. N. Ramachandran, T. W. Lin, V. K. Praveen,

Spontaneous curvature induction in an artificial bilayer membrane

Angew.  Chem. Int.  Ed., 2024, 63, e202403900

 

S. Rawat, C.N. Ramachandran

Water-assisted absorption of CO2 by 3-amino-1-propanol: a mechanistic insight

Phys. Chem. Chem. Phys., 2024, 26, 19845-19853

 

Paras and C. N. Ramachandran

Tuning the electronic and optical properties of phenoxaborin based thermally activated delayed fluorescent materials: A DFT study

J. Fluoresc., 2024, doi. 10.1007/s10895-023-03545-0

 

 

M. Kulshrestha, C. N. Ramachandran, R. G. Gonnade and K. K. Sadhu

One pot oxygen mediated syntheses of stable radicals

Materials Adv., 2024, 5, 1523

 

Paras and C. N. Ramachandran

Tuning of the singlet–triplet energy gap of donor-linker-acceptor based thermally activated delayed fluorescent emitters

J. Fluoresc., 2024, 34, 1343

 

A. Dhiman, C.N. Ramachandran

Stacking interaction and opto-electronic properties of star-shaped benzotrithiophene and its extended derivatives

Chem. Phys. Lett., 2024, 852, 141503

 

A. Aggarwal, A. Rajyan and C. N. Ramachandran

Substitution-induced band shifts and relative population of cis–trans azobenzene

Theor. Chem. Acc., 2024, 143, 62

 

P. Gangwar, C.N. Ramachandran

Conversion of the greenhouse gases CH4 and CO2 to CH3COOH using transition metal Clusters: Two birds with one stone

Chem. Phys. Lett., 2024, 846, 141339

 

H. M. Abdulla, P. Gangwar, P. K. Sajith and C. N. Ramachandran

Probing the interaction of NO with C60: Comparison between endohedral and exohedral complexes

J. Phys. Chem. A, 2023, 127, 3598

 

A. Poddar, C. N. Ramachandran and P. K Chattaraj

Behavior of HF and (HF)2 inside a fullerene cage: An in silico study using different density functionals

Int. J. Quant. Chem., 2023, 123, 27067

 
Honors And Awards
Honors
European Physical Journal-D
2021
Guest Editor
IIT Roorkee
2019
Outstanding Teacher Award
MemberShips
Chemical Research Society of India (CRSI)
01 Jan 2020 - Present
Life Member
Teaching Engagements
Teaching Engagements
Physical Chemistry ( CYN-001 )
Autumn
Quantum Chemistry Group Theory and Symmetry ( CYN-501 )
Autumn
Group Theroy and Spectroscopy ( CYN-302 )
Spring
Students
SuperVisions
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
Miscellaneous
Events
3rd North West Meeting on Spectroscopy, Structure and Dynamics (SSD-2019)
04 Aug 2020 - Present
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Advanced Simulation Methods (ASM-2019)
01 Jan 2019 - Present
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Faculty Development Program
21 Sep 2022 - 21 Sep 2022
UGC-Human Resource Development Centre, Panjab University
16th Theoretical Chemistry Symposium (TCS-2019)
01 Jan 2019 - Present
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Theoretical Chemistry and Biology Symposium
15 Oct 2022 - 15 Oct 2022
NIPER Mohali
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
International Conference on Physics and Chemistry of Materials (ICCPM-2019)
01 Jan 2018 - Present
DST-KCSTE-ACS-RSC
National Seminar on Material Science and Technology for Sustainable Future
01 Jan 2018 - Present
Malabar Christian College, Calicut, Kerala
Modeling of Weakly Interacting Systems
01 Jan 2018 - Present
North West Meeting on Spectroscopy, Structure and Dynamics SDD-2018
01 Jan 2018 - Present
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Endohedral and Exohedral Complexes of Fullerenes and Carbon Nanotubes
01 Jan 2017 - Present
Structure, Stability and Properties of Mixed Gas Hydrates and Their Melts
01 Jan 2019 - Present
Spectroscopy, Dynamics and Molecular Clusters (SDMC-2018)
01 Jan 2018 - Present
IISER Kolkota, SINP Kolkota, IACS Kolkota
Modeling of Gas Hydrates and Their Melts
01 Jan 2018 - Present
8th Asia Pacific Conference on Theoretical and Computational Chemistry
01 Jan 2017 - Present
IIT Mumbai
Workshop on Computational Chemistry
01 Jan 2017 - Present
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North West Meeting on Spectroscopy, Structure and Dynamics SDD-2018
01 Jan 2017 - Present
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Theoretical Chemistry Symposium
01 Jan 2016 - Present
Hyderabad Central University and IICT Hyderabad
Asian Academic Seminar
01 Jan 2015 - Present
JSPS-DST
Theoretical Chemistry Symposium
01 Jan 2014 - Present
NCL PUNE & IISER PUNE
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
Comments

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).