Professor, Department of Chemistry
Projects done by M.Sc. Chemistry students | |
THEORETICAL STUDY OF PHOTOCHEMICAL BEHAVIOUR OF PROTONATED SCHIFF BASES AND COUNTER ION EFFECTS ON THEIR PHOTOISOMERIZATION PROCESSES | Nitish Pal (DST-INSPIRE summer project student from NISER, Bhubaneshwar) |
Photoisomerization of azobenzene and its derivatives | Shuja Jameel Siddiqui |
Isomerization in Rhodopsin and Bacteriorhodopsin | Pranav Anil Upadhyay |
Radiative and non-radiative paths of molecular rotor systems | Namrata Rajesh Ahuja |
Photo-isomerization through OBF, HT and BP motions | R Harshith Harithsa |
Study of Properties of Spin-Trapping Agents | Abhinav Verma |
A study on the Rhodopsin Protein and its photo-isomerization channels | Sukhlecha Aditya Vijayraj |
Isomerization Paths of Push-Pull systems | Anmol Agarwal |
Various Methods in Computational Chemistry | Prasann Agarwal |
Hula-Twist (HT) and One-bond-flip (OBF) motions during photo-isomerization processes | Rakshit Chandra |
Effects of solvents on the planar and twisted excited states of some fluorescent push-pull systems | Rakshit Chandra |
Environmental effects on molecular Rotors | Adithya R. |
Theory and applications of conical intersections | K. Kartikeyan |
A study project on radiative emission processes | Anmol Agarwal |
A computational study of some Molecular Rotors systems | Riddhish Pandharkar |
A study of hybrid ONIOM methods | Harshita Lulla |
Computational Study of Push –Pull effect on conjugated polyenes by varying substituents on both sides of Polyenes | Harshil Garg |
A spectroscopic study of the Fluorescent Molecular Rotors | Riddhish Pandharkar |
Different Mechanisms of Fluorescence Quenching Processes | Harshil Garg |
Electronic spectra of some biologically important chelate complexes-a computational study | Jayanti Jain |
Study of spectroscopic properties of Ground State and some low lying excited states of halonium ions | Pranav Triguna |
A spectroscopic study of the low-lying electronic states of 2, 4-Pentadien-1-iminium cation | Popuri Sathya Sriamrutha |
A study of different basis sets and basis set errors | Govindwar Rahul Pramod |
Projects done by Computer Science students | |
Application of Machine Learning in Computational Chemistry | Devansh Dixit |
Predicting Molecular Energy Using Neural Networks | Tarun Chordia |
Regression ML technique in Computational Chemistry | Chintan Sharma |