Showing 1 - 3 results of 3 for search '"non-covalent interaction plots"', query time: 1.38s Refine Results
  1. 1
    Utilizing Hirshfeld surface calculations, non-covalent interaction (NCI) plots and the calculation of interaction energies in the analysis of molecular packing

    Utilizing Hirshfeld surface calculations, non-covalent interaction (NCI) plots and the calculation of interaction energies in the analysis of molecular packing by Sang Loon Tan, Mukesh M. Jotani, Edward R. T. Tiekink

    Published 2019-03-01
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  2. 2
    Synthesis, X-ray Crystal Structure, and Computational Characterization of Tetraphenylborate, 3-(5H-Dibenzo[a,d] cyclohepten-5-ylidene)-N, N-Dimethyl-1-propanamine

    Synthesis, X-ray Crystal Structure, and Computational Characterization of Tetraphenylborate, 3-(5H-Dibenzo[a,d] cyclohepten-5-ylidene)-N, N-Dimethyl-1-propanamine by Ahmed H. Bakheit, Rashad Al-Salahi, Hazem A. Ghabbour, Essam A. Ali, Obaid S. AlRuqi, Gamal A. E. Mostafa

    Published 2023-07-01
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  3. 3
    In vitro contraceptive activities, molecular docking, molecular dynamics, MM-PBSA, non-covalent interaction and DFT studies of bioactive compounds from Aegle marmelos. Linn., leaves

    In vitro contraceptive activities, molecular docking, molecular dynamics, MM-PBSA, non-covalent interaction and DFT studies of bioactive compounds from Aegle marmelos. Linn., leave... by Prasanth Gunasekaran, Yogaswaran Velmurugan, David Stephen Arputharaj, Jose Kavitha Savaridasson, Madhukar Hemamalini, Rajakannan Venkatachalam

    Published 2023-01-01
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