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Dr. Anjan Chattopadhyay

Professor, Department of Chemistry

Computational Photochemistry
BITS-Pilani, K.K. Birla Goa Campus

Research Projects

Sponsored Research Projects

As Principal Investigator 

1.    A computational investigation on the reaction paths and spectroscopic properties of crown ethersFunding Agency BRNS (2019-2022)

 

 

2. Spectroscopic investigation of the properties of low-lying electronic states of some chemopreventive retinyl nitrones and comparison of their light-induced properties with retinyliminium ions-Funding Agency CSIR (2012-2015)

 

 

3.    Spectroscopic properties of some low-lying electronic states of alkali metal-rare gas and alkaline earth metal-rare gas moleculesFunding Agency DST (2009-2012) 

 

As Co-PI
Photophysical studies of some selected DNA damage reactions-  Funding Agency CSIR (2012-2015)
[Principal Investigator Prof. Sujit Kumar Ghosh VNIT , Nagpur]

 

Projects done by M.Sc. Chemistry & Engineering (Computer Science) students

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