Works matching IS 1432881X AND DT 2017 AND VI 136 AND IP 11
Results: 6
Development of hydrophilicity on the proton exchange using sulfonic acid on PEEK in the presence of water: a density functional theory study.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, v. 136, n. 11, p. 1, doi. 10.1007/s00214-017-2153-4
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- Publication type:
- Article
Solubility of functionalized single-wall carbon nanotubes in water: a theoretical study.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, v. 136, n. 11, p. 1, doi. 10.1007/s00214-017-2160-5
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- Publication type:
- Article
Understanding the mechanism of the decomposition reaction of nitroethyl benzoate through the Molecular Electron Density Theory.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, v. 136, n. 11, p. 1, doi. 10.1007/s00214-017-2161-4
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- Article
Foreword to the special issue on the 'Electronic Structure: Principles and Applications (ESPA 2016)' Conference.
- Published in:
- 2017
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- Publication type:
- Editorial
A theoretical investigation on the mechanism and kinetics of the gas-phase reaction of naphthalene with OH radical.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, v. 136, n. 11, p. 1, doi. 10.1007/s00214-017-2162-3
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- Publication type:
- Article
Direct dynamics calculations of multiple proton transfer through hydrogen-bonded wire and the role of micro-solvation in ClONO + HO → HNO + HOCl reactions.
- Published in:
- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2017, v. 136, n. 11, p. 1, doi. 10.1007/s00214-017-2163-2
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- Publication type:
- Article