Professor, Department of Chemistry

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

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