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Dipak Prasad

Indian Institute of Technology Kharagpur

6

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15

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Stretch‐induced helix to extended coil transition of crystalline α phase isotactic polypropylene: A molecular dynamics study

2020
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Identification of molecular vibrations associated with tacticity in polypropylene: Density functional theory‐based simulations

2019 Journal of Polymer Science Part B
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Molecular level deformation mechanism of ettringite

2019 Cement and Concrete Research
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Terahertz spectroscopy of diglycidylether of bisphenol A: Experimental investigations and density functional theory based simulations

2019 Journal of Molecular Structure
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An atomistic study of phase transition in cubic diamond Si single crystal subjected to static compression

2019 Computational Materials Science
- Dipak Prasad
- Nilanjan Mitra
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Intermolecular dynamics of ultraconfined interlayer water in Tobermorite: influence on mechanical performance

2019 Physical Chemistry Chemical Physics
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