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bauer08-prb.pdf
analysis using the program “POWDER CELL”44 in- dicates that 100% pure...the reliability of the POWDER CELL Ref. 44 fit of ice II and ice...aux.uibk.ac.at/c724117/publications/bauer08-prb.pdfThu Aug 21 12:15:32 CEST 2008 265.7K bytes -
9348 209..213
a periodically repeated unit cell, amorphous solids are disordered...short-range order in the unit cell [very much like mechanism (3)]...aux.uibk.ac.at/c724117/publications/loerting09-acp.pdfThu Sep 24 09:04:04 CEST 2009 3.6M bytes -
RSC_CP_C1CP21856E 1..8
Powder cell estimates a CS-I fraction of...This structural transition is well known and was observed in pure...aux.uibk.ac.at/c724117/publications/mitterdorfer11-pccp.pdfFri Nov 11 11:17:12 CET 2011 2.2M bytes -
F02737 1662..1669
the wide region called reaction swath as well. In this work we...amu throughout. This path, called minimum energy path (MEP) or...aux.uibk.ac.at/c724117/publications/loerting01-cej.pdfFri Nov 16 13:54:00 CET 2007 156.2K bytes -
ZPC0096057
temperature as well as pressure are fairly well retained within...First, by use of the Amorphous Cell tool a cubic box (with periodic...aux.uibk.ac.at/c724117/publications/seidl09-zpc.pdfFri Sep 25 11:38:18 CEST 2009 687.4K bytes -
kohl09-anie-supp.pdf
agree very well with the calculated normal-modes...the harmonic frequencies as well as the normal-modes do not match...aux.uibk.ac.at/c724117/publications/kohl09-anie-supp.pdfFri May 27 11:22:32 CEST 2011 191.5K bytes -
seidl12-jcp.pdf
materials: only glasses show a so-called glass transition. In the region...corresponding liquid state called high- density liquid (HDL).4...aux.uibk.ac.at/c724117/publications/seidl12-jcp.pdfMon Jan 16 10:58:56 CET 2012 248.5K bytes -
jd007065 1..9
less than unity is reproduced well. A negative temperature dependence...the reactions are reason- ably well understood from a phenomenological...aux.uibk.ac.at/c724117/publications/loerting06-jgr.pdfFri Nov 16 13:32:00 CET 2007 243.2K bytes -
No Job Name
showed that inclusion of so-called structural or spectator water...was used. To create this so-called minimum-energy path (MEP) or...aux.uibk.ac.at/c724117/publications/voegele02-jpca.pdfFri Nov 16 13:34:00 CET 2007 121.7K bytes -
loerting98a-jacs.pdf
hydrogen fluoride clusters are well-known compo- nents of hydrofluoric...in terms of spectroscopy as well as in terms of computational...aux.uibk.ac.at/c724117/publications/loerting98a-jacs.pdfFri Nov 16 13:30:00 CET 2007 132K bytes