THEMATICS analysis for functional ion channels.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 11, p. 2075, doi. 10.1002/qua.21386
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2007 AND VI 107 AND IP 11
Results: 15
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The problem of interoperability: A common data format for quantum chemistry codes.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 11, p. 2082, doi. 10.1002/qua.21387
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- Publication type:
- Article
3
The fluorescence transition of 2-aminopurine in double- and single-stranded DNA.
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- International Journal of Quantum Chemistry, 2007, v. 107, n. 11, p. 2092, doi. 10.1002/qua.21388
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- Article
4
List of participants.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 11, p. 2048, doi. 10.1002/qua.21395
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- Article
5
Preface.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 11, p. 2047, doi. 10.1002/qua.21383
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- Publication type:
- Article
6
Application of the MTD-PLS method to heterocyclic dye–cellulose interactions.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 11, p. 2057, doi. 10.1002/qua.21384
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- Publication type:
- Article
7
Ab initio investigation of the solvent and electron correlation effects on the geometries and first hyperpolarizabilities of push–pull oligomers.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 11, p. 2066, doi. 10.1002/qua.21385
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- Publication type:
- Article
8
SitCon: Binding site residue conservation visualization and protein sequence-to-function tool.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 11, p. 2100, doi. 10.1002/qua.21396
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- Publication type:
- Article
9
Application of the ONIOM (QM/QM) method in the study of molybdena–silica system active in olefin metathesis.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 11, p. 2111, doi. 10.1002/qua.21397
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- Publication type:
- Article
10
Neural networks to approach potential energy surfaces: Application to a molecular dynamics simulation.
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- International Journal of Quantum Chemistry, 2007, v. 107, n. 11, p. 2120, doi. 10.1002/qua.21398
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- Publication type:
- Article
11
Electric properties of formaldehyde, thioformaldehyde, urea, formamide, and thioformamide—Post-HF and DFT study.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 11, p. 2133, doi. 10.1002/qua.21399
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- Article
12
A noteworthy feature of bond dissociation/formation reactions.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 11, p. 2153, doi. 10.1002/qua.21400
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- Publication type:
- Article
13
pK<sub>a</sub> optimized catalysis in serine proteinases, an ab initio study on the catalaytic His.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 11, p. 2178, doi. 10.1002/qua.21403
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- Publication type:
- Article
14
Accuracy of density fitting in calculation of two-electron repulsion integrals in periodic systems.
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- International Journal of Quantum Chemistry, 2007, v. 107, n. 11, p. 2158, doi. 10.1002/qua.21401
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- Article
15
A force field for simulating ethanol adsorption on Au(111) surfaces. A DFT study.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 11, p. 2169, doi. 10.1002/qua.21402
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- Publication type:
- Article