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Published in 2017 at "Soft Computing"
DOI: 10.1007/s00500-015-1790-6
Abstract: The standard theory of quantum computation relies on the idea that the basic information quantity is represented by a superposition of elements of the canonical basis and the notion of probability naturally follows from the…
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Keywords:
valued quantum;
many valued;
computational logics;
note many ... See more keywords
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Published in 2022 at "Molecules"
DOI: 10.3390/molecules27072193
Abstract: The title compound was synthesized and structurally characterized. Theoretical IR, NMR (with the GIAO technique), UV, and nonlinear optical properties (NLO) in four different solvents were calculated for the compound. The calculated HOMO–LUMO energies using…
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Keywords:
computational investigation;
quantum computational;
methyl phenoxybenzylidene;
investigation methoxyphenyl ... See more keywords
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Published in 2023 at "Molecules"
DOI: 10.3390/molecules28052116
Abstract: For many decades, uracil has been an antineoplastic agent used in combination with tegafur to treat various human cancers, including breast, prostate, and liver cancer. Therefore, it is necessary to explore the molecular features of…
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Keywords:
molecular docking;
quantum computational;
computational spectroscopic;
hirshfeld surface ... See more keywords