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Ab initio computation of the low-temperature phase diagrams of the alkali metal iodide-bromides: MBrxI1-x (0 ≤ x ≤ 1), where M = Li, Na, K, Rb, or Cs
Authors: Schön, J. C.; Pentin, I. V.; Jansen, M.
Date of Publication (YYYY-MM-DD): 2007
Title of Journal: Journal of Physical Chemistry B
Volume: 111
Issue / Number: 15
Start Page: 3943
End Page: 3952
Document Type: Article
ID: 338573.0


Ab initio prediction of the low-temperature phase diagrams in the systems KBr-NaBr, KX-RbX, and LiX-RbX (X = Cl, Br)
Authors: Pentin, I. V.; Schön, J. C.; Jansen, M.
Date of Publication (YYYY-MM-DD): 2007
Title of Journal: Journal of Chemical Physics
Volume: 126
Issue / Number: 12
Sequence Number of Article: 124508
Document Type: Article
ID: 338560.0


Ab initio computation of low-temperature phase diagrams exhibiting miscibility gaps
Authors: Schön, J. C.; Pentin, I. V.; Jansen, M.
Date of Publication (YYYY-MM-DD): 2006
Title of Journal: Physical Chemistry Chemical Physics
Volume: 8
Issue / Number: 15
Start Page: 1778
End Page: 1784
Document Type: Article
ID: 273517.0


CMPZ – an algorithm for the efficient comparison of periodic structures
Authors: Hundt, R.; Schön, J. C.; Jansen, M.
Date of Publication (YYYY-MM-DD): 2006
Title of Journal: Journal of Applied Crystallography
Volume: 39
Start Page: 6
End Page: 16
Document Type: Article
ID: 273426.0


`Design' in der chemischen Synthese – eine Fiktion?
Authors: Jansen, M.; Schön, J. C.
Date of Publication (YYYY-MM-DD): 2006
Title of Journal: Angewandte Chemie International Edition
Volume: 45
Start Page: 3406
End Page: 3412
Document Type: Article
ID: 285420.0


The Route to the Structure Determination of Amorphous Solids: A Case Study of the Ceramic Si3B3N7
Authors: Jansen, M.; Schön, J. C.; van Wüllen, L.
Date of Publication (YYYY-MM-DD): 2006
Title of Journal: Angewandte Chemie International Edition
Volume: 45
Start Page: 4244
End Page: 4263
Document Type: Article
ID: 285435.0


Growth of NaBr in the 5-5 Structure Type on LiNbO3: A Feasibility Study
Authors: Schön, J. C.; Dinges, T.; Jansen, M.
Date of Publication (YYYY-MM-DD): 2006
Title of Journal: Zeitschrift für Naturforschung B
Volume: 61
Start Page: 650
End Page: 659
Document Type: Article
ID: 285436.0


Alkali metal carbonates at high pressure
Authors: Čančarević, Ž.; Schön, J. C.; Jansen, M.
Date of Publication (YYYY-MM-DD): 2006
Title of Journal: Zeitschrift für anorganische und allgemeine Chemie
Volume: 632
Issue / Number: 8-9
Start Page: 1437
End Page: 1448
Document Type: Article
ID: 306129.0


Stability of alkali-metal oxides as a function of pressure: Theoretical calculations
Authors: Čančarević, Ž.; Schön, J. C.; Jansen, M.
Date of Publication (YYYY-MM-DD): 2006
Title of Journal: Physical Review B
Volume: 73
Issue / Number: 22
Sequence Number of Article: 224114
Document Type: Article
ID: 306100.0


Existence of alkali-metal orthocarbonates at high pressure
Authors: Čančarević, Ž.; Schön, J. C.; Jansen, M.
Date of Publication (YYYY-MM-DD): 2006
Title of Journal: Zeitschrift für anorganische und allgemeine Chemie
Volume: 632
Sequence Number of Article: 2084
Document Type: Article
ID: 313045.0