Physics behind the Barrier to Internal Rotation of an Acetyl Chloride Molecule: A Combined Approach from Density Functional Theory, Car–Parrinello Molecular Dynamics, and Time-Resolved Wavelet Transform Theory

• Bipan Dutta,
• Biplab Bhattacharjee,
• Joydeep Chowdhury

Affiliations

Bipan Dutta

Department of Physics, Sammilani Mahavidyalaya, Kolkata, India

Biplab Bhattacharjee

‡Department of Chemistry, Jadavpur University, Kolkata, India

Joydeep Chowdhury

§Department of Physics, Jadavpur University, Kolkata, India