Theoretical calculation of the p K<sub>a</sub> values of some drugs in aqueous solution.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 10, p. 2275, doi. 10.1002/qua.23211
- By:
- Publication type:
- Article
Works matching IS 00207608 AND DT 2012 AND VI 112 AND IP 10
Results: 12
1
2
Cooperative influence of water binding to peptides by NH···OH<sub>2</sub> and CO···HOH hydrogen bonds: Study by Ab Initio calculations.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 10, p. 2336, doi. 10.1002/qua.23215
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- Publication type:
- Article
3
Theoretical study of disubstituted pyrrolopyrimidines as focal adhesion kinase inhibitors.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 10, p. 2324, doi. 10.1002/qua.23181
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- Publication type:
- Article
4
Erratum: Ring signatures for benzenoids with up to seven rings, Part 2: Pericondensed systems.
- Published in:
- 2012
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- Publication type:
- Erratum
5
Density functional theory study of the regio- and stereoselectivity of diels-alder reactions of 5-Aryl-2-pyrones.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 10, p. 2294, doi. 10.1002/qua.23232
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- Publication type:
- Article
6
Adsorption of polyfunctional 5-fluorouracil and 2,4-dithio-5-fluorouracil on Au(111) surface: Structure, energy, and electronic transmission.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 10, p. 2287, doi. 10.1002/qua.23214
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- Publication type:
- Article
7
Coupled cluster and DFT calculations of <sup>14</sup>N nuclear quadrupole coupling constants.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 10, p. 2281, doi. 10.1002/qua.23180
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- Publication type:
- Article
8
Coherent states as consequences of keto-amino→ enol-imine hydrogen bond arrangements driven by quantum uncertainty limits on amino DNA protons.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 10, p. 2301, doi. 10.1002/qua.22834
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- Publication type:
- Article
9
A visual representation for RNA secondary structure and its application.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 10, p. 2243, doi. 10.1002/qua.23188
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- Publication type:
- Article
10
Modeling of properties of amino acids with random, semirandom, and molecular connectivity descriptors.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 10, p. 2267, doi. 10.1002/qua.23202
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- Publication type:
- Article
11
Three-unit semicircles curve: A compact 3D graphical representation of DNA sequences based on classifications of nucleotides.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 10, p. 2330, doi. 10.1002/qua.23187
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- Publication type:
- Article
12
The Rayleigh-Schrödinger perturbation series of quasi-degenerate systems.
- Published in:
- International Journal of Quantum Chemistry, 2012, v. 112, n. 10, p. 2256, doi. 10.1002/qua.23201
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- Publication type:
- Article