Zobrazeno 1 - 10
of 12
pro vyhledávání: '"Jutta Hahn"'
Autor:
Jutta Hahn
Publikováno v:
Media Management ISBN: 9783658232962
In Stein gemeiselt bleiben Informationen erfahrungsgemas lange erhalten. In optische Datentrager gebrannt vermutlich auch, sofern man dann (also in ein paar Jahrzehnten) auch noch ein Gerat zum Auslesen zu Hand haben sollte. Informationen in magnetis
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::45de3fd39b504c62a1c89db64609d51b
https://doi.org/10.1007/978-3-658-23297-9_20
https://doi.org/10.1007/978-3-658-23297-9_20
Publikováno v:
The Journal of Physical Chemistry B. 103:2001-2007
Molecular dynamics simulations have been carried out to study structural aspects of the photo repair mechanism of DNA photolyase. In particular, we investigated the docking and binding of bare and dressed model pyrimidine dimers, U〈〉T and dU〈p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::90bf8cef49d90a1f3bef2646a3afca1c
https://doi.org/10.1021/jp984197h
https://doi.org/10.1021/jp984197h
Publikováno v:
Journal of Molecular Modeling. 4:73-82
In order to gain insight into the light-driven repair of DNA by the enzyme DNA photolyase, the conformation of the photoactive cofactor FAD, a flavin adenine dinucleotide, has been studied by molecular dynamic simulations. In contrast to FAD in the g
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2deb05d08e24fab03dd23ffcfb7b76e2
https://doi.org/10.1007/s008940050133
https://doi.org/10.1007/s008940050133
Publikováno v:
Inorganic Chemistry. 36:3947-3951
The universal force field approach is used to investigate the steric demand in nitrogen molecule cleavage by three-coordinate molybdenum complexes MoL3 of different ligand types L (L = NH2, NMe2, N(mesityl)(tert-butyl), O(tert-butyl), Me, tert-butyl,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b45971e957ded0604486bde28d229a28
https://doi.org/10.1021/ic961466e
https://doi.org/10.1021/ic961466e
Publikováno v:
Organometallics. 16:995-1000
All-electron generalized-gradient density functional (DF) calculations have been carried out on both the nonrelativistic and relativistic levels to address the mechanism of N2 cleavage by L3Mo(III) complexes. The reaction features computed for the mo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::09860295b559c021f543fcdad8868d72
https://doi.org/10.1021/om9607863
https://doi.org/10.1021/om9607863
Publikováno v:
Journal of Computational Chemistry. 15:1121-1126
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6cbd6a64b6d3712ec9be7b6abfd54e32
https://doi.org/10.1002/jcc.540151008
https://doi.org/10.1002/jcc.540151008
Publikováno v:
Macromolecular Symposia. 81:333-338
A simple generalized model is proposed to describe the phenomenon of conformational disordering in polymers. The model represents a two-dimensional system of flexible particles interacting through a modified Lennard-Jones potential. Monte Carlo simul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::907f826a3fec2538e0809c7b0ec34f95
https://doi.org/10.1002/masy.19940810133
https://doi.org/10.1002/masy.19940810133
Publikováno v:
Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals. 239:165-180
A simple generalized model is proposed to describe the phenomenon of conformational disordering in molecular crystals. The model represents a classical two-dimensional system of “conformationally flexible” particles interacting through a modified
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::59d32a118553698a63b80ff892724afb
https://doi.org/10.1080/10587259408047180
https://doi.org/10.1080/10587259408047180
Autor:
Notker Rösch, Sabine Nagel, William S. Sheldrick, Jutta Hahn, Oliver Herd, Frank Bitterer, Othmar Stelzer, Michael Kühnel, Norbert Weferling
Publikováno v:
Inorganic chemistry. 37(25)
The first PH-functional phosphines (1, 3, and 5) containing the 1,1'-binaphthyl-2,2'-bis(methylene) or 1,1'-biphenyl-2,2'-bis(methylene) backbone have been obtained by two-phase phosphination of 2,2'-bis(halomethyl)-1,1'-binaphthyls with PH(3) or in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::e6bfe0cba65ccc2bac0ecbe788d29064
https://pubmed.ncbi.nlm.nih.gov/11670760
https://pubmed.ncbi.nlm.nih.gov/11670760
Autor:
Johannes Roth, Jutta Hahn, Christoph Rudhart, Galib Krdzalic, Franz Gähler, Hans-Rainer Trebin, Jörg Stadler, Christopher Kohler, Gunther Schaaf, Erik Bitzek
Publikováno v:
High Performance Computing in Science and Engineering 2000 ISBN: 9783642625138
We describe the recent developments of IMD (ITAP Molecular Dynamics), a general purpose pro gram for classical molecular dynamics simulations on workstations and massively parallel supercomputers. As pair potentials are not entirely suitable for many
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::06659ae317fb18c772a2420df9e62f80
https://doi.org/10.1007/978-3-642-56548-9_3
https://doi.org/10.1007/978-3-642-56548-9_3