Fachbereich
Química Física
Publikationen (59) Publikationen, an denen Forscher/innen teilgenommen haben
1992
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A comparative study of the procaine-H+ structures. Interpretation of the procaine hydrochloride spectra by AM1
Journal of Molecular Structure: THEOCHEM, Vol. 262, Núm. C, pp. 7-20
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A perturbation theory of hard quadrupolar fluids
Molecular Physics, Vol. 75, Núm. 2, pp. 427-442
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AM1 study of several diazabicyclanones
Journal of Molecular Structure: THEOCHEM, Vol. 262, Núm. C, pp. 21-37
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Application of cell theory to the thermodynamic properties of hard dumbbell solids
Molecular Physics, Vol. 77, Núm. 5, pp. 803-821
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Brownian dynamics simulation of flexible polymer chains with excluded volume and hydrodynamic interactions. A comparison with Monte Carlo and theoretical results
Polymer, Vol. 33, Núm. 16, pp. 3477-3481
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Chemi-ionization cross-section by time profile measurements under crossed-beam conditions. The Ba + Cl2 → BaCl+ + Cl- reactions
Journal of Molecular Structure: THEOCHEM, Vol. 258, Núm. 3-4, pp. 271-285
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Collective dynamics of liquid carbon tetrachloride studied by inelastic neutron scattering and computer simulation
The Journal of Chemical Physics, Vol. 96, Núm. 11, pp. 8477-8484
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Conformational study of several diazabicyclanols by the AM1 method
Journal of Molecular Structure: THEOCHEM, Vol. 257, Núm. 3-4, pp. 259-278
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Effect of double bonds on the dynamics of hydrocarbon chains
The Journal of Chemical Physics, Vol. 97, Núm. 2, pp. 1240-1249
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Effect of temperature and pressure on the protonation of glycine
Biophysical Journal, Vol. 61, Núm. 5, pp. 1394-1401
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Efficient algorithm for the reconstruction of a protein backbone from the α‐carbon coordinates
Journal of Computational Chemistry, Vol. 13, Núm. 4, pp. 443-456
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Exchange-dependent hybridization at the Pd-Fe interface
Physical Review B, Vol. 45, Núm. 23, pp. 13823-13826
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Experimental and theoretical studies of the equation of state of liquid 2-butyne from 248 to 293 K and pressures up to 104 MPa
Journal of Physical Chemistry, Vol. 96, Núm. 4, pp. 1932-1938
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Experimental methods for reaction threshold determination using molecular beam and laser techniques
Journal of Physical Chemistry, Vol. 96, Núm. 21, pp. 8212-8219
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Femtosecond real-time probing of reactions. IX. Hydrogen-atom transfer
The Journal of Chemical Physics, Vol. 97, Núm. 12, pp. 9046-9061
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Ferromagnetic order in ultrathin Rh layers on Fe(100)
Physical Review B, Vol. 46, Núm. 19, pp. 12888-12891
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High-resolution infrared diode laser spectroscopy of SO(3Σ-) in a secondary-slit supersonic expansion
Chemical Physics Letters, Vol. 192, Núm. 2-3, pp. 309-314
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INFRARED STUDY OF SOLVENT INFLUENCE ON THE ROTATIONAL EQUILIBRIUM IN CHLORO AND DICHLOROACETYL CHLORIDE
ANALES DE QUIMICA, Vol. 88, Núm. 5-6, pp. 534-541
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Inclusional complexes of decyltrimethylammonium bromide and β-cyclodextrin in water
Journal of Physical Chemistry, Vol. 96, Núm. 11, pp. 4533-4537
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Inelastic photoelectron diffraction from Si
Physical Review B, Vol. 46, Núm. 20, pp. 13215-13219