Publikationen von L. Delle Site
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Zeitschriftenartikel (94)
81.
Zeitschriftenartikel
107 (6), S. 378 - 380 (2002)
Bader's interatomic surfaces are unique. Theoretical Chemistry Accounts 82.
Zeitschriftenartikel
What can classical simulators learn from ab initio simulations? Journal of Molecular Liquids (Sp. Iss. SI), S. 79 - 86 (2002)
83.
Zeitschriftenartikel
303 (3-4), S. 481 - 492 (2002)
Generalized Thomas-Fermi approach for systems under pressure. Physica A 84.
Zeitschriftenartikel
57 (1), S. 20 - 24 (2002)
Bader's interatomic surface and Bohmian mechanics. Europhysics Letters 85.
Zeitschriftenartikel
496 (1-2), S. L1 - L6 (2002)
Structures of adsorbed water layers on MgO: an ab initio study. Surface Science 86.
Zeitschriftenartikel
26, S. 217 (2001)
Two Algorithms for Defining Atoms and Molecules in Condensed Phases. Molecular Simulation 87.
Zeitschriftenartikel
286, S. 61 - 64 (2001)
A Statistical Interpretation of Bader's Definition of Interatomic Surface. Physics Letters A 88.
Zeitschriftenartikel
15, S. 403 - 408 (2001)
On the Relevance of the Wavefunction's Phase Factor for Understanding Topological Properties of Atoms and Molecules in Condensed Phases: A simple Example. International Journal of Modern Physics B 89.
Zeitschriftenartikel
15, S. 2485 - 2490 (2001)
On the Correspondence between Classical and Quantum Mechanics in Defining Atoms and Molecules in Condensed Systems. International Journal of Modern Physics B 90.
Zeitschriftenartikel
26, S. 353 (2001)
Methane in Water: An ab initio Study. Molecular Simulation 91.
Zeitschriftenartikel
293, S. 71 - 82 (2001)
Equation of State of Compressed Matter: A Simple Statistical Model. Physica A 92.
Zeitschriftenartikel
10, S. 288 - 303 (2001)
Simulation of Polymer Melts: From Spherical to Ellipsoidal Beads. Macromolecular Theory and Simulations 93.
Zeitschriftenartikel
14, S. 771 - 781 (2000)
Interatomic Surfaces in Condensed Systems: A Quantum-Classical Analysis. International Journal of Modern Physics B 94.
Zeitschriftenartikel
113, S. 3344 - 3350 (2000)
The Structure and Spectroscopy of Monolayers of Water on MgO: An ab initio Study. Journal of Chemical Physics Buchkapitel (4)
95.
Buchkapitel
Adaptive Resolution Molecular Dynamics Technique. In: Handbook of Materials Modeling, S. 1 - 15 (Hg. Andreoni, W.; Yip, S.). Springer, Cham (2018)
96.
Buchkapitel
Adaptive Resolution Schemes. In: Multiscale Simulation Methods in Molecular Sciences, S. 359 - 379 (Hg. Grotendorst; J.; Attig; N.; Blügel et al.). Forschungszentrum Jülich, Jülich (2009)
97.
Buchkapitel
Quantum-classical correspondence for the kinetic energy. In: Lecture Series on Computer and Computational Science, Volume 1, S. 1 - 4 (Hg. Simos, T.; Maroulis, G.). Brill Academic Publishers, Leiden (2006)
98.
Buchkapitel
Multiscale computer simulations for polymeric materials in bulk and near surfaces. In: Bridging Time Scales: Molecular Simulations for the Next Decade, S. 143 - 164 (Hg. Nielaba, P.; Mareschal, M.; Ciccotti, G.). Springer, Berlin/Heidelberg (2002)
Meeting Abstract (1)
99.
Meeting Abstract
245, 7-COMP. (2013)
Autocatalytic and cooperatively-stabilized dissociative adsorption of water on stepped metal surfaces. In Abstracts of Papers of the American Chemical Society,