Centro de Nanociencia y Tecnologías Sostenibles (CNATS)
Centro de investigación
Rheinisch-Westfälische Technische Hochschule Aachen University
Aquisgrán, AlemaniaPublicaciones en colaboración con investigadores/as de Rheinisch-Westfälische Technische Hochschule Aachen University (9)
2015
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COSMO-3D: Incorporating three-dimensional contact information into the COSMO-SAC model
Industrial and Engineering Chemistry Research, Vol. 54, Núm. 7, pp. 2214-2226
2014
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Validation of the CO2/N2O analogy using molecular simulation
Industrial and Engineering Chemistry Research, Vol. 53, Núm. 46, pp. 18081-18090
2013
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Strategies to simultaneously enhance the hydrostability and the alcohol-water separation behavior of Cu-BTC
Journal of Physical Chemistry C, Vol. 117, Núm. 40, pp. 20706-20714
2012
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Fick diffusion coefficients in ternary liquid systems from equilibrium molecular dynamics simulations
Industrial and Engineering Chemistry Research, Vol. 51, Núm. 30, pp. 10247-10258
2000
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Anisotropies of the Reorientational Motion of Deuterated and Protonated Benzene by 13C Nuclear Magnetic Relaxation
Zeitschrift fur Physikalische Chemie, Vol. 214, Núm. 36861, pp. 1687
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The nuclear quadrupole coupling constants of methanol in mixtures with CCl4 by molecular dynamics and ab initio calculations
Journal of Molecular Liquids, Vol. 85, Núm. 1-2, pp. 57-76
1999
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N-2-(Azol-1(2)-yl)ethyliminodiacetic acids: A novel series of Gd(III) chelators as T2 relaxation agents for magnetic resonance imaging
Bioorganic and Medicinal Chemistry, Vol. 7, Núm. 3, pp. 517-527
1995
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Molecular dynamics of hydantoins and barbiturates assessed by 1H, 13C and 15N relaxation data
Journal of the Chemical Society, Perkin Transactions 2, pp. 2191-2194
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Molecular-Dynamics of Hydantoins and Barbiturates Assessed by h-1,c-13 And n-15 Relaxation Data
Journal of the Chemical Society-Perkin Transactions 2, pp. 2191-2194