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New insight on the origin of the unusual acidity of Meldrum's acid from ab initio and combined QM/MM simulation study
K. Byun, Y. Mo,
J. Gao
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
75
Scopus citations
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Dive into the research topics of 'New insight on the origin of the unusual acidity of Meldrum's acid from ab initio and combined QM/MM simulation study'. Together they form a unique fingerprint.
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Medicine & Life Sciences
Meldrum's acid
100%
methyl acetate
57%
Anions
46%
Esters
33%
methyl malonate
23%
Water
14%
Chemical Compounds
Solvent Effect
31%
Conformational Isomer
28%
Simulation
27%
Methyl Acetate
27%
Anion
25%
Ester
19%
Anomeric Effect
15%
Acid
15%
E Isomer
12%
Monte Carlo Method
11%
Stereoisomer
11%
Molecular Orbital
9%
Solvation
9%
Acetate
7%
Additive
7%
Aqueous Solution
5%
Engineering & Materials Science
Acidity
59%
Acids
39%
Negative ions
33%
Esters
20%
Stabilization
15%
Molecular orbitals
10%
Solvation
9%
Isomers
9%
Conformations
7%
Water
6%