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Dr. Anant D. Kulkarni

  • Ph. D
  • Scientist
  • Indian Institute of Science Division of Chemical Sciences
  • 26PublicationsNumber of items in Dr. Anant D.'s My Publications folder on Mendeley.
  • 9Followers

Research interests

effect of external electric field on molecular/ cluster properties.hydrogen bonded clusterstransition metal catalysisadsorption on solid surfacesmolecular solvationhydrogen storagedensity functional theoryComputational chemistry

Following (6)

Publications (5)

  • Water clusters (H2O)n [n = 9–20] in external electric fields: Exotic Osingle bondH stretching frequencies near breakdown

    • Bartolotti L
    • Rai D
    • Kulkarni A
    • et al.
    N/AReaders
    N/ACitations
  • Exploring electric field induced structural evolution of water clusters, (H2O) n [n = 9–20]: Density functional approach

    • Rai D
    • Kulkarni A
    • Gejji S
    • et al.
    N/AReaders
    N/ACitations
  • Oxygen Interactions with Silica Surfaces: Coupled Cluster and Density Functional Investigation and the Development of a New ReaxFF Potential

    • Kulkarni A
    • Truhlar D
    • Srinivasan S
    • et al.
    N/AReaders
    N/ACitations
  • Examining the robustness of first-principles calculations for metal hydride reaction thermodynamics by detection of metastable reaction pathways

    • Ki Chul Kim
    • Kulkarni Anant D.
    • Johnson J Karl
    • et al.
    N/AReaders
    N/ACitations
  • Performance of Density Functional Theory and Møller–Plesset Second-Order Perturbation Theory for Structural Parameters in Complexes of Ru

    • Kulkarni A
    • Truhlar Donald G.
    N/AReaders
    N/ACitations

Professional experience

Scientist

Indian Institute of Science Division of Chemical Sciences

April 2015 - Present