Applications of natural orbitals for chemical valence in a description of bonding in conjugated molecules.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 8, p. 681, doi. 10.1007/s00894-008-0276-1
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- Article
Works matching IS 16102940 AND DT 2008 AND VI 14 AND IP 8
Results: 14
1
2
Comparison of the electronic properties, and thermodynamic and kinetic parameters of the aquation of selected platinum(II) derivatives with their anticancer IC<sub>50</sub> indexes.
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- Journal of Molecular Modeling, 2008, v. 14, n. 8, p. 705
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- Article
3
International workshop on “Modeling Interaction in Biomolecules III”, held in Prague September 8th–13th, 2007.
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- Journal of Molecular Modeling, 2008, v. 14, n. 8, p. 649, doi. 10.1007/s00894-008-0323-y
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- Article
4
σ-hole bonding between like atoms; a fallacy of atomic charges.
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- Journal of Molecular Modeling, 2008, v. 14, n. 8, p. 659
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- Publication type:
- Article
5
A dynamic view of enzyme catalysis.
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- Journal of Molecular Modeling, 2008, v. 14, n. 8, p. 735
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- Article
6
Why are dimethyl sulfoxide and dimethyl sulfone such good solvents?
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 8, p. 689
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- Article
7
Elongation cutoff technique: low-order scaling SCF method.
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- Journal of Molecular Modeling, 2008, v. 14, n. 8, p. 651, doi. 10.1007/s00894-008-0295-y
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- Article
8
Two C-terminal ankyrin repeats form the minimal stable unit of the ankyrin repeat protein p18<sup>INK4c</sup>.
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- Journal of Molecular Modeling, 2008, v. 14, n. 8, p. 747
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- Article
9
The molecular structure of a curl-shaped retinal isomer.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 8, p. 717, doi. 10.1007/s00894-008-0284-1
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- Article
10
A reexamination of the propensities of amino acids towards a particular secondary structure: classification of amino acids based on their chemical structure.
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- Journal of Molecular Modeling, 2008, v. 14, n. 8, p. 769, doi. 10.1007/s00894-008-0313-0
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- Article
11
Automated conformational energy fitting for force-field development.
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- Journal of Molecular Modeling, 2008, v. 14, n. 8, p. 667, doi. 10.1007/s00894-008-0305-0
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- Article
12
Regulatory phosphorylation of cyclin-dependent kinase 2: insights from molecular dynamics simulations.
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- Journal of Molecular Modeling, 2008, v. 14, n. 8, p. 761
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- Article
13
Blue shifts vs red shifts in σ-hole bonding.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 8, p. 699
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- Article
14
Ab initio multireference study of Hetero-Diels-Alder reaction of buta-1,3-diene with alkyl glyoxylates.
- Published in:
- Journal of Molecular Modeling, 2008, v. 14, n. 8, p. 727, doi. 10.1007/s00894-008-0289-9
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- Article