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Entries: 1-5  
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QUASI: A general purpose implementation of the QM/MM approach and its application to problems in catalysis
Authors: Sherwood, P.; de Vries, A. H.; Guest, M. F.; Schreckenbach, G.; Catlow, C. R. A.; French, S. A.; Sokol, A. A.; Bromley, S. T.; Thiel, W.; Turner, A. J.; Billeter, S.; Terstegen, F.; Thiel, S.; Kendrick, J.; Rogers, S. C.; Casci, J.; Watson, M.; King, F.; Karlsen, E.; Sjøvoll, M.; Fahmi, A.; Schäfer, A.; Lennartz, C.
Date of Publication (YYYY-MM-DD): 2003-08-01
Title of Journal: Journal of Molecular Structure-Theochem
Volume: 632
Issue / Number: Sp. Iss. Sp. Iss. SI
Start Page: 1
End Page: 28
Document Type: Article
ID: 119191.0
Enzymatic reactions of triosephosphate isomerase: A theoretical calibration study
Authors: Lennartz, C.; Schäfer, A.; Terstegen, F.; Thiel, W.
Date of Publication (YYYY-MM-DD): 2002-02-21
Title of Journal: Journal of Physical Chemistry B
Volume: 106
Issue / Number: 7
Start Page: 1758
End Page: 1767
Document Type: Article
ID: 20151.0
Remarkably large geometry dependence of 57Fe NMR chemical shifts
Authors: Bühl, M.; Mauschick, F. T.; Terstegen, F.; Wrackmeyer, B.
Date of Publication (YYYY-MM-DD): 2002
Title of Journal: Angewandte Chemie - International Edition
Volume: 41
Issue / Number: 13
Start Page: 2312
End Page: 2315
Document Type: Article
ID: 19916.0
Bemerkenswert starke Geometrie-Abhängigkeit 57Fe-chemischer Verschiebungen
Authors: Bühl, M.; Mauschick, F. T.; Terstegen, F.; Wrackmeyer, B.
Date of Publication (YYYY-MM-DD): 2002
Title of Journal: Angewandte Chemie
Volume: 114
Start Page: 2417
End Page: 2420
Document Type: Article
ID: 27858.0
A Molecular-Dynamics Study of the Rhodopsin Chromophore Using Ultrasoft Pseudopotentials
Authors: Sugihara, M.; Entel, P.; Meyer, H.; Buss, V.; Terstegen, F.; Hafner, J.
Date of Publication (YYYY-MM-DD): 2000
Title of Journal: Progress of Theoretical Physics Supplement
Issue / Number: 138
Start Page: 107
End Page: 112
Document Type: Article
ID: 488957.0
Entries: 1-5  
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