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Benchmark calculations of proton affinity and gas-phase basicity using multilevel (G4 and G3B3), B3LYP and MP2 computational methods of para-substituted benzaldehyde compounds.
Zaki S. Safi
Nuha Wazzan
Published in:
J. Comput. Chem. (2021)
Keyphrases
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computational methods
statistical methods
genetic algorithm
computational approaches
electronic commerce
pairwise
protein protein interactions
computational tools
secondary structure
drug discovery
sequence similarity
databases
learning algorithm