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Gruppiere nach: Keine Gruppierung | Typ des Eintrags | Publikationsjahr | Sprache
Anzahl der Einträge: 23.

Artikel

Seeger, A. ; Brickmann, J. ; Luft, G. (2009)
Penetration of organic liquids into dry portland cement mortar under ambient and high pressure.
In: Chem. Eng. Technol., 32 (6)
doi: 10.1002/ceat.200900049
Artikel, Bibliographie

Friedemann, Rudolf ; Naumann, S. ; Brickmann, J. (2001)
Aggregation of alkane and fluoroalkane clusters: molecular dynamics simulation results.
In: Physical chemistry chemical physics, 3
Artikel, Bibliographie

Zahn, Dirk ; Brickmann, J. (2001)
Quantum-classical simulation of proton transport via a phospholipid bilayer.
In: Physical chemistry chemical physics, 3
Artikel, Bibliographie

Exner, Thomas ; Brickmann, J. (2001)
The identification of complementarity of molecular surfaces using fuzzy set theory.
In: Journal of molecular modelling, 7
Artikel, Bibliographie

Jäger, Robert ; Schmidt, F. ; Schilling, B. ; Brickmann, J. (2000)
Localization and quantification of hydrophobicity: the molecular free energy density (MolFESD) concept and its application to sweetness recognition.
In: Journal of Computer-Aided Molecular Design, 14 (7)
doi: 10.1023/A:1008181611372
Artikel, Bibliographie

Marhöfer, Richard J. ; Kast, K. M. ; Schilling, B. ; Bär, H.-J. ; Kast, Stefan Michael ; Brickmann, J. (2000)
Molecular dynamics simulations of tertiary systems of cellohexaose/aliphatic N-oxide/water.
In: Macromolecular chemistry and physics, 201
Artikel, Bibliographie

Zahn, Dirk ; Brickmann, J. (2000)
A comparative study of proton migration in water and deuteron transport in heavy water by means of mixed quantum/classical molecular dynamics simulation.
In: Chemical Physics Letters, 331 (2-4)
doi: 10.1016/S0009-2614(00)01186-6
Artikel, Bibliographie

Müller, Marco ; Bär, H.-J. ; Kast, Stefan Michael ; Brickmann, J. (1999)
Ab initio localization of adsorption sites in guest/host systems: application to the system thionine in zeolite NaY.
In: Chemical physics letters, 311
Artikel, Bibliographie

Gudowska-Nowak, Ewa ; Brickmann, J. ; Papp, G. (1999)
Disorder effects in bridged molecular systems: Random matrix theory approach.
In: Cellular & molecular biology letters, 4
Artikel, Bibliographie

Zahn, Dirk ; Brickmann, J. (1999)
Quantum classical simulation of proton migration in water.
In: Israel journal of chemistry, 39
Artikel, Bibliographie

Schmidt, Roger G. ; Böhm, ; Brickmann, J. (1997)
Comparison of the numerical matrix multiplication and quantum Monte Carlo simulations: calculation of spatial delocalization parameters.
In: Chemical physics. 215 (1997), S. 207-215
Artikel, Bibliographie

Mosell, T. ; Schrimpf, G. ; Brickmann, J. (1997)
Diffusion of aromatic molecules in zeolite NaY. 1. Constrained reaction coordinate dynamics.
In: Journal of physical chemistry. B 101 (1997), S. 9476-9484
Artikel, Bibliographie

Dufner, H. ; Schlenkrich, ; Kast, Stefan Michael ; Brickmann, J. (1997)
Ewald summation versus direct summation of shifted-force potentials for the calculation of electrostatic interactions in solids: a quantitative study.
In: Journal of computational chemistry. 18 (1997), S. 660-676
Artikel, Bibliographie

Exner, Thomas ; Brickmann, J. (1997)
New docking algorithm based on fuzzy set theory.
In: Journal of molecular modelling. 3 (1997), S. 321-324
Artikel, Bibliographie

Moeckel, G. ; Spiegelhalder, ; Bartsch, ; Keil, ; Brickmann, J. (1997)
P53 mutation pattern combined with 3D-structure analysis.
In: Journal of cancer research and clinical oncology. 123 (1997), Suppl. 1, S. 14
Artikel, Bibliographie

Gudowska-Nowak, Ewa ; Rapp, ; Brickmann, J. (1997)
Two-level system with noise: Blue's function approach.
In: Chemical physics. 220 (1997), S. 125-135
Artikel, Bibliographie

Immel, Stefan ; Brickmann, J. ; Lichtenthaler, F. W. (1995)
Molecular modelling of saccharides, 6. Small ring cyclodextrins: their geometries and hydrophobic topographies.
In: Liebigs Annalen der Chemie. 1995, S. 929-942
Artikel, Bibliographie

Hauptmann, Sven ; Brickmann, J. (1995)
Molekulardynamische Simulationen zur Struktur und Funktion von biologischen Membranen, Zeolithkatalysatoren und Polymeren.
In: Thema Forschung. 1995, 2, S. 46-56
Artikel, Bibliographie

Zachmann, Carl-Dieter ; Kast, Stefan Michael ; Brickmann, J. (1995)
Quantification and visualization of molecular surface flexibility.
In: Journal of molecular graphics. 13 (1995), S. 89-97
Artikel, Bibliographie

Schrimpf, Gangolf ; Brickmann, J. (1995)
Xenon adsorbed in zeolite Na-Y: A systematic molecular dynamics study with a flexible framework approach.
In: Journal of computer-aided materials design. 2 (1995), S. 49-74
Artikel, Bibliographie

Buchkapitel

Kast, Stefan Michael ; Berry, R. S. ; Brickmann, J.
Hrsg.: Calais, Jean-Louis (1997)
The interplay between quantum chemistry and molecular dynamics simulations.
In: Conceptual perspectives in quantum chemistry
Buchkapitel, Bibliographie

Yurtsever, E. ; Brickmann, J. (1995)
Mixed mode dynamics within TDSCF approximation.
In: Frontiers of chemical dynamics
Buchkapitel, Bibliographie

Konferenzveröffentlichung

Moeckel, G. ; Spiegelhalder, ; Bartsch, ; Brickmann, J. (1995)
Molekulare Hydrophobie/Hydrophilie von Enzym-Substrat-Komplexen am Beispiel der Metabolisierung von Carcinogenen durch Cytochrom P450.
Konferenzveröffentlichung, Bibliographie

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