Dr. Parag agarwal

Employment

• Teerthanker Mahaveer University Associate Professor
  2017 - Present

Education

• University of Lucknow Dr. D. S. Kothari Post Doctoral Fellow
  2013 - 2015
• M J P Rohilkhand University Faculty of Applied Sciences Ph.D.
  2009 - 2013

Projects & Funding

Projects & funding information is unavailable.

Publications (14)

• Application of Density Functional Theory for the Calculation of the Non‐Linear Optical Properties of Materials: A Comprehensive Review
  Macromolecular Symposia 2026 DOI: 10.1002/masy.70282
  +Save
• Molecular Interaction Profiling of Cathinone Derivative via Docking and Computational Tools
  Macromolecular Symposia 2026 DOI: 10.1002/masy.70342
  +Save
• Theoretical Investigations of Structural, Electronic, and Nonlinear Optical Properties of 2‐Methoxy‐N, N‐diphenylbenzamide (2MNNDPB)
  Macromolecular Symposia 2026 DOI: 10.1002/masy.70306
  +Save
• Theoretical Modelling of NLO‐Active 4DMAPBP Crystal: Structure–Electronic Interplay and Optical Nonlinearity
  Macromolecular Symposia 2026 DOI: 10.1002/masy.70311
  +Save
• Density Functional Theory (DFT) Study on the Nontoxic Alternative of Bisphenol A (BPA) Derivatives: A Comprehensive Review
  Macromolecular Symposia 2024 DOI: 10.1002/masy.202400090
  +Save
• Combine experimental and theoretical investigation on an alkaloid-Dimethylisoborreverine
  Journal of Molecular Structure 2016 DOI: 10.1016/j.molstruc.2015.09.021
  +Save
• Quantum chemical calculations of conformation, vibrational spectroscopic, electronic, NBO and thermodynamic properties of 2,2-dichloro-N-(2,3-dichlorophenyl) acetamide and 2,2-dichloro-N-(2,3-dichlorophenyl) acetamide
  Computational and Theoretical Chemistry 2014 DOI: 10.1016/j.comptc.2014.01.011
  +Save
• Quantum chemical study on influence of intermolecular hydrogen bonding on the geometry, the atomic charges and the vibrational dynamics of 2,6-dichlorobenzonitrile
  Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2014 DOI: 10.1016/j.saa.2013.10.104
  +Save
• Density functional theory studies on the structure, spectra (FT-IR, FT-Raman, and UV) and first order molecular hyperpolarizability of 2-hydroxy-3-methoxy-N-(2-chloro-benzyl)-benzaldehyde-imine: Comparison to experimental data
  Vibrational Spectroscopy 2013 DOI: 10.1016/j.vibspec.2012.11.005
  +Save
• Use of vibrational spectroscopy to study 2-[4-(N-dodecanoylamino)phenyl]-5- (4-nitrophenyl)-1,3,4-oxadiazole: A combined theoretical and experimental approach
  Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy 2013 DOI: 10.1016/j.saa.2013.05.051
  +Save