DFT study of rearrangements in cyclopentylheptenyl carbocations.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1772, doi. 10.1002/qua.21258
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- Publication type:
- Article
Works matching IS 00207608 AND DT 2007 AND VI 107 AND IP 8
Results: 18
1
2
Conformational analysis for some nonclassical antagonists of histamine H3 receptor.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1803, doi. 10.1002/qua.21263
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- Publication type:
- Article
3
First principle study of the structure of conjugated amides and thioamides.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1765, doi. 10.1002/qua.21234
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- Publication type:
- Article
4
Thermodynamic functions of conformational changes, part IV: Functional analysis of conformational entropy of substituted ethane and methanol.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1826, doi. 10.1002/qua.21319
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- Publication type:
- Article
5
Influence of BH<sub>3</sub> and alkaline cation released from the reduction agent on a tandem reduction/acylation reaction—A computational study.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1814, doi. 10.1002/qua.21320
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- Publication type:
- Article
6
Computer aid molecular design based on meta-heuristics techniques.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1745, doi. 10.1002/qua.21347
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- Publication type:
- Article
7
Large-ring cyclodextrins. Further support for the preferred conformations of CD26 in water solution: Molecular dynamics studies on CD26-derived conformations of CDn (n = 24, 25, 27, 28, 29, 30).
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1657, doi. 10.1002/qua.21216
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- Publication type:
- Article
8
A preliminary MTD-PLS study for androgen receptor binding of steroid compounds.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1707, doi. 10.1002/qua.21311
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- Publication type:
- Article
9
Exploratory study of dielectric properties of insoluble monolayers: Molecular models.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1719, doi. 10.1002/qua.21239
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- Publication type:
- Article
10
Theoretical study of the structure and electronic spectra of fully protonated emeraldine oligomers.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1688, doi. 10.1002/qua.21241
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- Publication type:
- Article
11
IR spectral and structural studies of 4-aminobenzenesulfonamide (sulfanilamide)-d<sub>0</sub>, -d<sub>4</sub>, and -<sup>15</sup>N, as well as their azanions: Combined DFT B3LYP/experimental approach.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1752, doi. 10.1002/qua.21242
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- Publication type:
- Article
12
Positive width function and energy indeterminacies in ammonia molecule.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1673, doi. 10.1002/qua.21243
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- Publication type:
- Article
13
Molecular modeling of some calcium and magnesium ionic bridges.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1714, doi. 10.1002/qua.21272
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- Publication type:
- Article
14
Preface: Third Humboldt Conference on Computational Chemistry.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1651, doi. 10.1002/qua.21280
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- Publication type:
- Article
15
List of participants.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1653, doi. 10.1002/qua.21281
- Publication type:
- Article
16
Exploring the binding site of the human muscarinic M3 receptor: Homology modeling and docking study.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1794, doi. 10.1002/qua.21290
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- Publication type:
- Article
17
Modeling the octanol–water partition coefficient of substituted phenols by the use of structure information.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1736, doi. 10.1002/qua.21292
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- Publication type:
- Article
18
New possible ionic structures in Wittig reaction: Analysis of stability and rotation barriers by semiempirical PM3 method.
- Published in:
- International Journal of Quantum Chemistry, 2007, v. 107, n. 8, p. 1782, doi. 10.1002/qua.21298
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- Publication type:
- Article