Fachbereich
Química Física
Publikationen (63) Publikationen, an denen Forscher/innen teilgenommen haben
1999
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A comparative study of the scaled vibrational frequencies in the local anesthetics procaine, tetracaine and propoxycaine by means of semiempirical methods: AM1, PM3 and SAM1
Journal of Molecular Structure: THEOCHEM, Vol. 459, Núm. 1-3, pp. 239-271
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A fluorimetric, potentiometric and conductimetric study of the aqueous solutions of naproxen and its association with hydroxypropyl-β-cyclodextrin
International Journal of Pharmaceutics, Vol. 176, Núm. 2, pp. 169-178
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A reinvestigation of the molecular structure of dimethyl-N-nitramine by gas electron diffraction, ab initio calculations of the molecular geometry and the force field and vibrational spectra
Journal of Molecular Structure, Vol. 485-486, pp. 153-161
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A theoretical study of the dynamics of the O( 1 D)+HD reaction at 0.196 eV collision energy: Comparison with experimental results
Chemical Physics Letters, Vol. 310, Núm. 3-4, pp. 277-286
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A theoretical study of the dynamics of vibrational wave packets in the 1g state of Xe2
Laser Chemistry, Vol. 19, Núm. 1-4, pp. 57-63
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A unified quanta! and classical description of the stereodynamics of elementary chemical reactions: State-resolved k-k′-j′ vector correlation for the H+D2(v=0,j=0) reaction
Journal of Chemical Physics, Vol. 111, Núm. 12, pp. 5368-5383
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Ahmed H. Zewail: premio Nobel de química 1999
Revista española de física, Vol. 13, Núm. 5, pp. 6-9
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An experimental and computational study about the effect of a spirocyclopropane group on the solvolysis rates of bridgehead triflates
Journal of Organic Chemistry, Vol. 64, Núm. 15, pp. 5611-5619
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Bonding in bromine oxides: Isomers of BrO2, Br2O2 and BrO3
Journal of Molecular Structure: THEOCHEM, Vol. 467, Núm. 3, pp. 223-231
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Bromine and Mixed Bromine Chlorine Oxides: Wave Function (CCSD(T) and MP2) versus Density Functional Theory (B3LYP) Calculations
Journal of Physical Chemistry A, Vol. 103, Núm. 6, pp. 739-743
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Calorimetric and dielectric study of a blend containing a conductive polymer: Poly(3-octylthiophene) + poly(ethylene-co-vinylacetate)
Polymer, Vol. 40, Núm. 21, pp. 5833-5842
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Calorimetry in the near-critical and supercritical regions. Nitrous oxide + hydrocarbon mixtures
Pure and Applied Chemistry, Vol. 71, Núm. 7, pp. 1197-1205
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Classical and inverted structures of SiXnH3-nLi and SiXnH3-nNa
Journal of Physical Chemistry A, Vol. 103, Núm. 42, pp. 8537-8542
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Coherent population transfer in three-level [Formula Presented] systems by chirped laser pulses: Minimization of the intermediate-level population
Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 59, Núm. 6, pp. 4494-4501
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Collective dynamics on a crystal composed by disparate-mass particles: [Formula Presented]
Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, Vol. 59, Núm. 3, pp. 3212-3222
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Collisional dynamics of Ca1D + HBr reactions: Evidence for transition-state motions
Molecular Physics, Vol. 97, Núm. 8, pp. 967-976
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Conformational properties of polymer chains in the theta region
Journal of Chemical Physics, Vol. 111, Núm. 3, pp. 1302-1308
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Critical properties of mixtures of alkanes from perturbation theory
Journal of Chemical Physics, Vol. 111, Núm. 7, pp. 3183-3191
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Dielectric studies on microemulsions-based gels
Physics and Chemistry of Liquids, Vol. 37, Núm. 6, pp. 765-772
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Energetics of the encapsulation of o-, m-, and p-hydroxybenzoic acids by β-cyclodextrin and its methylated and hydroxypropylated derivatives in aqueous solution
Canadian Journal of Chemistry, Vol. 77, Núm. 3, pp. 348-355