Ph.D. : BHU, Varanasi (2010)
Alexander von Humboldt Post doc : Germany (2015 - 2016)
Post doc : Seoul, South Korea (2013 - 2015)
CSIR-Nehru Post doc : NCL Pune (2011 to 2013)
CSIR-SRF : BHU, Varanasi (2010 - 2011)
Research fellowship in Science for Meritorious Students (UGC-RFSMS) : BHU, Varanasi (2009 - 2010)
JRF : BHU, Varanasi (2008 - 2009)
Research: Laser and Raman Spectroscopy, SERS, DFT calculations, Ionic Liquids, Biomolecules, Hydrogen Bonds, Nanomaterials : India, Germany, South Korea

International Reserach Article Published

  • Molecular structure and interactions in the ionic liquid 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate

    Dheeraj K. Singh, B. Rathke, J. Kiefer, A. Materny, JPC A 120, (2016), 6274-6286
  • Raman spectroscopic study on alkyl chain conformation in 1-Butyl-3-methylimidazolium ionic liquids and their aqueous mixtures

    Dheeraj K. Singh, S. Cha, D. Nam, H. Cheong, S. Joo, D. Kim, ChemPhysChem, 17, (2016), 3040-3046
  • Study of the nucleation and growth of antibiotic labeled AuNPs and blue luminescent Au8 quantum clusters for Hg2+ ion sensing, cellular imaging and antibacterial applications

    P. Khandelwal, Dheeraj K. Singh, S. Sadhu, P. Poddar, Nanoscale, 7, (2015) 19985-20002
  • CSIR-SRF (2009-2010)

    BHU, Varanasi, India
  • Physicochemical characterization of the structure and desorption relationship of tioconazole-assembled gold nanoparticles investigated by density functional theory and Raman spectroscopy

    EM Cho, E Ganbold, Anthu, Dheeraj K. Singh, SI Yang, SY Lee, SW Joo, Colloids & Surface A 486 (2015) 45-52
  • Monitoring potential molecular interactions of adenine with other amino acids using Raman spectroscopy and DFT modeling

    S. Singh, , P. Donfack, S.K. Srivastava, Dheeraj K. Singh A. Materny, B.P. Asthana, P.C. Mishra, Spectrochim. Acta A 149, (2015) 647-655
  • Detection of mycotoxin Citrinine using silver substrates and Raman spectroscopy

    Dheeraj K. Singh, E Ganbold, CM Lee, S.K. Yang, S.W. Joo, J. Hazardous Material, 265 (2014) 89– 95
  • Adsorption and desorption of tyrosine kinase inhibitor erlotinib on gold nanoparticles

    Anthu, Jinha Y, Dheeraj K. Singh, E Ganbold, CM Lee, Doseok K., S.W. Joo, J. Colloid & Interface Science, 425 (2014) 96-101
  • Colloidal gold nanoparticle conjugates of gefinitib

    Jinha Y, Anthu, Dheeraj K. Singh, E Ganbold, CM Lee, Doseok K., S.W. Joo, Colloid & Surface B, 123 (2014) 61-67
  • Modulation of Reaction Kinetics for the Tuneable Synthesis of Gold Nanoparticles and Quantum Clusters: Application of Gold Quantum Clusters as “Turn-Off” Sensing Probes for Sn4+ Ions

    P. Khandelwal, Dheeraj K. Singh, S Sadhu, P. Poddar, ChemPlusChem, 79 (2013) 134-142
  • Studies on phenylmercury (II) complexes of nitrogen-sulfur ligands: Synthesis, spectral, structural characterization, TD-DFT and Photoluminescent properties

    A. Bharti, P Bharati, R Dulare, M.K. Bharty, Dheeraj K. Singh, N.K. Singh, Polyhedron, 65 (2013) 170–180
  • Hydrogen bonding patterns of acrylamide /water clusters: A microsolvation study probed by Raman and DFT study

    S Singh, S.K. Srivastava, Dheeraj K. Singh*, RSC Advances, 4 (2014) 1761-1774.
  • Study of Hydration of Sarcosine, Formation of Its Zwitterion and Their Different Oligomers in Aqueous Media: A Raman Spectroscopic and Theoretical Study

    P. Sharma, Dheeraj K. Singh, B.P. Asthana, P.C. Mishra, R.K. Singh, Spectrochim. Acta A 116 (2013) 74–83
  • Interactions between Antifungal Drug Myclobutanil and Gold Nanoparticles in Penicillium digitatum Investigated by Surface-Enhanced Raman Scattering

    E Cho, Dheeraj K. Singh, E Ganbold, CM Lee, S.K. Yang, S.W. Joo, Applied Spectr. 68 (2013) 307-314
  • Surface-Enhanced Raman Scattering and density functional theory calculations of a thiabedazole fungicide on Ag and Au nanoparticles.

    Dheeraj K. Singh, E Cho, E Ganbold, CM Lee, S.K. Yang, S.W. Joo, J. Mol. Struct. 1049 (2013) 464–472
  • In situ synthesis and surface functionalization of gold nanoparticles with curcumin and their antioxidant properties: an experimental and density functional theoretical investigation

    Dheeraj K. Singh, R. Jagannathan, P. Khandelwal, P. Abraham, P. Poddar, Nanoscale, 5 (2013) 1882
  • Raman scattering and DFT calculations used for analyzing the structural features of DMSO in water and methanol

    S Singh, S.K. Srivastav, Dheeraj K. Singh*, RSC Advances, 3(2013) 4381-4390
  • Modeling the weak hydrogen bonding of Pyrrol with dichlromethane: Raman and DFT study

    Dheeraj K. Singh, B.P. Asthana, S.K. Srivastava, J. Mol. Modeling, 18 (2012) 3541-3552
  • Inter–molecular hydrogen bonding in the binary mixture [(C2H5)2C=O + CH3OH] probed by polarized Raman measurements and DFT calculations

    Dheeraj K. Singh, S.K. Srivastava, P. Raghuvansh, R.K. Singh, B.P. Asthana, Vibr. Spectrosc. 56 (2011) 34–41
  • Study of hydrogen bonding patterns of a pharmaceutically active drug molecule paraldehyde: A Raman and DFT study

    S Singh, Dheeraj K. Singh, S.K. Srivastava, B.P. Asthana, Zeit. für Phys. Chem. 225 (2011) 723-740
  • Clusters of acrylonitrile in methanol / ethanol: A structure – spectra correlation by quantum chemical and polarized Raman study

    Dheeraj K. Singh, S.K. Srivastava, B.P. Asthana, Chem. Phys. 380 (2011) 24-33
  • Vibrational study of fluorobenzene and its solvation with methanol via polarized Raman measurements and quantum chemical calculations

    S Singh, Dheeraj K. Singh, S.K. Srivastava, B.P. Asthana, Vibr. Spectrosc. 56 (2011) 26–33
  • Self-association and hydrogen bonding of propionaldehyde in binary mixtures with water and methanol investigated by concentration dependent polarized Raman study and DFT calculations

    Dheeraj K. Singh, S.K. Srivastava, S. Schlücker, R.K. Singh, B.P. Asthana, J. Raman Spectrosc. 42 (2011) 851–858
  • Hydrogen bonding in different pyrimidine/methanol clusters probed by polarized Raman spectroscopy and DFT calculations

    Dheeraj K. Singh, S. Mishra, A.K. Ojha, S.K. Srivastava, S. Schlücker, B.P. Asthana, J. Popp, R.K. Singh, J. Raman Spectrosc. 42 (2011) 667–675
  • Raman and DFT study of polar ν(C≡N) and non-polar ν(C–H) modes of acetonitrile in aqueous Ag nano-colloids

    S. Mishra, Dheeraj K. Singh, A.K. Ojha, B.P. Asthana , R.K. Singh, Spectrochim. Acta A 77 (2010) 559-565
  • Raman and DFT study of hydrogen-bonded 2- and 3-chloropyridine with methanol

    Deepa Singh, K.Vikram, Dheeraj K. Singh, R.K.Singh, W. Kiefer, J. Raman Spectrosc. 39 (2008) 1423-1432
  • Vibrational study of thiophene and its solvation in two polar solvents, DMSO and methanol by Raman spectroscopy combined with ab initio and DFT calculations

    Dheeraj K. Singh, S.K. Srivastava, A.K. Ojha, B.P. Asthana, J. Mol. Struct. 892 (2008) 384-391
  • pH dependent Raman study of pyrrole and its vibrational analysis using DFT calculations

    Dheeraj K. Singh, S.K. Srivastava, A.K. Ojha, B.P. Asthana, Spectrochim. Acta A 71 (2008) 823-829

USA Patent

  • One pot process for the preparation of gold quantum clusters

    Khandelwal P, Singh D.K., Poddar P. Publication No. US 2016/0054328 A1 Publication Date: Feb 25, 2016

Post doctorate

  • Alexander von Humboldt Fellow, Germany, 2015-2016

    University of Bremen+ Jacobs University, Bremen, Germany
  • NRF Post doc, Seoul, South Korea (2013 to 2015)

    Sogang University +Soongsil University, Seoul, South Korea
  • CSIR-Nehru Post doc (2011 to 2013)

    NCL, Pune, India

Research Project Granted

  • Early Career Research (ECR) Award from DST-SERB (50 Lakhs)

    "Molecular Structure and Vibrational Dynamics of Ionic Liquids Materials"

International/National Awards/Fellowship

  • International Award

    Japan Society of Promotion in Science (JSPS), 2016
  • International Award

    Alexander von Humboldt Fellow, Germany, 2015
  • South Korea, NRF

    Post Doc Fellowship at Sogang University, South Korea, 2013
  • National Fellowship

    Nehru Post Doctorate Fellowship in Science (CSIR-Nehru PDF) 2011
  • National Fellowship

    Dr. D.S. Kothari Post Doctorate Fellowship (UGC) 2011
  • National Fellowship

    Senior Research Fellowship (CSIR-SRF) awarded by CSIR in 2010
  • National Fellowship

    Research Fellowship in Science for Meritorious Students (RFSMS-UGC) awarded by UGC in 2009

Reviewer and Editor

  • Review in International Publications

    Spectrochimica Acta A, Vibrational Spectroscopy, Bulletin of Japan Chemical Society etc
  • Guest Editor

    Special Issue in Advances in Chemistry (DFT and Ab-initio Calculations)

Talk and Poster in International/National Conferences

Membership

  • Life Membership

    Laser and Spectroscopy Society of India (LASSI)
  • Life Membership

    Korean Chemical Society (KCS)