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机译:
Department of Chemistry, Indian Institute of Science Education and Research, Pune 411021, India;
Department of Physics and Chemistry, Indian Institute of Science Education and Research, Pune 411021, India;
机译:Origin of the blue‐shifted hydrogen bond in the vibrational Raman spectra of pyridine–water complexes: A density functional theory study
机译:Analysis of vibrational modes from alpha-synudein: a theoretical model using density functional theory and Raman spectroscopy
机译:Clathrate hydrates modelled with classical density functional theory coupled with a simple lattice gas and van der Waals-Platteeuw theory
机译:Theoretical studies of ground and excited electronic states in a series of heteroleptic iridium complexes using density functional theory