Concepedia

Boron nitride nanocage as drug delivery systems for chloroquine, as an effective drug for treatment of coronavirus disease: A DFT study

Khalid M. Alharthy, Marwa Fadhil Alsaffar, Hassan N. Althurwi, Faisal F. Albaqami, Russul Reidh Abass, Aisha Majid Alawi, Sarah Salah Jalal, Shazia Tabassum, Hao Zhang, Peng Wang

Inorganic Chemistry Communications · 2023 · 12 citations · 44 references

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44

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

Samuel Francis Boys, Fernando Bernardi · Molecular Physics · 1970 · 22K citations

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Energies, structures, and electronic properties of molecules in solution with the C‐PCM solvation model

Maurizio Cossi, Nadia Rega, Giovanni Scalmani et al. · Journal of Computational Chemistry · 2003 · 7.9K citations

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Electrophilicity-Based Charge Transfer Descriptor

J. Padmanabhan, Ramakrishnan Parthasarathi, V. Subramanian et al. · The Journal of Physical Chemistry A · 2007 · 578 citations

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Theoretical Study on the Al-Doped ZnO Nanoclusters for CO Chemical Sensors

Nasser L. Hadipour, Ali Ahmadi Peyghan, Hamed Soleymanabadi · The Journal of Physical Chemistry C · 2015 · 462 citations

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Hyperpolarized Xe NMR signal advancement by metal-organic framework entrapment in aqueous solution

Qingbin Zeng, Binglin Bie, Qianni Guo et al. · Proceedings of the National Academy of Sciences · 2020 · 203 citations · Full text

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