Effect of Ni and Pd Transition Metal Functionalized on Interaction of Mercaptopyridine with B12N12 Nanocage: NBO, AIM, DFT, TD-DFT Study
Author:
Publisher
Sami Publishing Company
Subject
General Earth and Planetary Sciences,General Environmental Science
Link
http://www.chemmethod.com/article_105975_722ec5fd38e2825f34e40c8d9509bab3.pdf
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3. Electronic, Structural, and Optical Properties of Fe(CO)4[X12Y12] (X = B or Al, Y = N or P) Complexes: A Computational Investigation;Russian Journal of Inorganic Chemistry;2023-07-19
4. Assessment of the Capability and Potential of Pristine, Sc-, Ti-, and Ni-Doped C24 Nanocages to Delivery and Sensor Property of Prothionamide Drug: Insight of DFT, TD-DFT Computational Methods;Journal of Computational Biophysics and Chemistry;2023-06-08
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