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Results 4321 - 4330 of 4,563 for cell (0.04 sec)
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No Job Name
the unit cell lengths. FFW reproduced the unit cell volumes in...internal coordinates and unit cell dimensions of six anhydrous...aux.uibk.ac.at/c724117/publications/sabolovic03-inor.pdfFri Nov 16 13:39:00 CET 2007 194.7K bytes -
qy0303000386.pdf
and the transition state) as well the reaction valley connecting...reordering might be applied as well. The choice of the MEP as reaction...aux.uibk.ac.at/c724117/publications/tautermann03-jcc.pdfFri Nov 16 13:35:00 CET 2007 170.9K bytes -
doi:10.1016/S0009-2614(03)00447-0
re- actions of the so-called halogen reservoir species such...Reactions of HOCl have been well investi- gated both experimentally...aux.uibk.ac.at/c724117/publications/voegele03-cpl.pdfFri Nov 16 11:58:00 CET 2007 286K bytes -
untitled
molecules in a rectangular unit cell (with periodic boundary conditions)...conditions) that matches the unit cell geometry of ice Ih. Proton disorder...aux.uibk.ac.at/c724117/publications/giovambattista12-srep.pdfWed May 16 07:03:54 CEST 2012 539.9K bytes -
loerting02-jcp.pdf
called ice XII, was first p pared...aux.uibk.ac.at/c724117/publications/loerting02-jcp.pdfFri Nov 16 13:49:00 CET 2007 118.8K bytes -
RSC_CP_C0CP01351J 1..5
has a size of about two unit cells. Introduction Clathrate hydrates...K by immersing the pressure cell in liquid nitrogen. Finally,...aux.uibk.ac.at/c724117/publications/bauer11-pccp.pdfThu Jan 27 16:34:50 CET 2011 1.4M bytes -
High Density Amorphous Ice from Cubic Ice
phases of amor- phous water called low-(LDA) and high-density...further distinct structural state called very-high density amorphous...aux.uibk.ac.at/c724117/publications/loerting06-cphc.pdfFri Nov 16 13:41:00 CET 2007 99.2K bytes -
No Job Name
or ice XII is that of a so-called “parallel reaction” which is...picture also requires that so-called pure ice IV (ice XII) must...aux.uibk.ac.at/c724117/publications/salzmann02b-jpcb.pdfWed Nov 16 16:06:06 CET 2011 67.1K bytes -
Raman Spectroscopic Study of the Phase Transiti...
primitive (or Wigner–Seitz) unit cell.[37] As a dicarboxylic acid,...vice versa. This condition is called “the rule of mutual exclusion”,...aux.uibk.ac.at/c724117/publications/kohl09-anie.pdfTue Jan 05 14:19:14 CET 2010 605.2K bytes -
B208936J 487..495
To create this so-called minimum energy path (MEP) the...geometries and energy hypersurfaces well, but underestimates barrier...aux.uibk.ac.at/c724117/publications/voegele03-pccp.pdfFri Nov 16 13:34:00 CET 2007 313.9K bytes