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	<id>https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?action=history&amp;feed=atom&amp;title=Nitropyridin_PBEDZP_IR_schwingungen-jmolpage</id>
	<title>Nitropyridin PBEDZP IR schwingungen-jmolpage - Versionsgeschichte</title>
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	<updated>2026-04-04T14:57:31Z</updated>
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	<entry>
		<id>https://hergipedia.oc.uni-kiel.de/mediawiki/index.php?title=Nitropyridin_PBEDZP_IR_schwingungen-jmolpage&amp;diff=5852&amp;oldid=prev</id>
		<title>Fkoehler: Die Seite wurde neu angelegt: „&#039;&#039;&#039;rechte Maustaste/Modell ...&#039;&#039;&#039; zur Auswahl der anzuzeigenden Schwingung  &lt;jmol&gt;   &lt;jmolApplet&gt;     &lt;script&gt; # Jmol state version 11.8.7  2009-08-11 23:55;  fun…“</title>
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		<updated>2010-02-03T09:23:42Z</updated>

		<summary type="html">&lt;p&gt;Die Seite wurde neu angelegt: „&amp;#039;&amp;#039;&amp;#039;rechte Maustaste/Modell ...&amp;#039;&amp;#039;&amp;#039; zur Auswahl der anzuzeigenden Schwingung  &amp;lt;jmol&amp;gt;   &amp;lt;jmolApplet&amp;gt;     &amp;lt;script&amp;gt; # Jmol state version 11.8.7  2009-08-11 23:55;  fun…“&lt;/p&gt;
&lt;p&gt;&lt;b&gt;Neue Seite&lt;/b&gt;&lt;/p&gt;&lt;div&gt;&amp;#039;&amp;#039;&amp;#039;rechte Maustaste/Modell ...&amp;#039;&amp;#039;&amp;#039; zur Auswahl der anzuzeigenden Schwingung&lt;br /&gt;
&lt;br /&gt;
&amp;lt;jmol&amp;gt;&lt;br /&gt;
  &amp;lt;jmolApplet&amp;gt;&lt;br /&gt;
    &amp;lt;script&amp;gt;&lt;br /&gt;
# Jmol state version 11.8.7  2009-08-11 23:55;&lt;br /&gt;
&lt;br /&gt;
function _setWindowState() {&lt;br /&gt;
# height 397;&lt;br /&gt;
# width 477;&lt;br /&gt;
  stateVersion = 1108007;&lt;br /&gt;
  backgroundColor = &amp;quot;[x000000]&amp;quot;;&lt;br /&gt;
  axis1Color = &amp;quot;[xff0000]&amp;quot;;&lt;br /&gt;
  axis2Color = &amp;quot;[x008000]&amp;quot;;&lt;br /&gt;
  axis3Color = &amp;quot;[x0000ff]&amp;quot;;&lt;br /&gt;
  ambientPercent = 45;&lt;br /&gt;
  diffusePercent = 84;&lt;br /&gt;
  specular = true;&lt;br /&gt;
  specularPercent = 22;&lt;br /&gt;
  specularPower = 40;&lt;br /&gt;
  specularExponent = 6;&lt;br /&gt;
  statusReporting  = true;&lt;br /&gt;
}&lt;br /&gt;
&lt;br /&gt;
function _setFileState() {&lt;br /&gt;
&lt;br /&gt;
  set allowEmbeddedScripts false;&lt;br /&gt;
  set autoBond true;&lt;br /&gt;
  set appendNew true;&lt;br /&gt;
  set appletProxy &amp;quot;&amp;quot;;&lt;br /&gt;
  set applySymmetryToBonds false;&lt;br /&gt;
  set bondRadiusMilliAngstroms 150;&lt;br /&gt;
  set bondTolerance 0.45;&lt;br /&gt;
  set defaultLattice {0.0 0.0 0.0};&lt;br /&gt;
  set defaultLoadScript &amp;quot;&amp;quot;;&lt;br /&gt;
  set defaultVDW Jmol;&lt;br /&gt;
  set forceAutoBond false;&lt;br /&gt;
  set loadFormat &amp;quot;http://www.rcsb.org/pdb/files/%FILE.pdb&amp;quot;;&lt;br /&gt;
  set minBondDistance 0.4;&lt;br /&gt;
  set pdbSequential false;&lt;br /&gt;
  set pdbGetHeader false;&lt;br /&gt;
  set percentVdwAtom 20;&lt;br /&gt;
  set smartAromatic true;&lt;br /&gt;
}&lt;br /&gt;
&lt;br /&gt;
function _setVariableState() {&lt;br /&gt;
&lt;br /&gt;
   set defaultanglelabel &amp;quot;%VALUE %UNITS&amp;quot;;&lt;br /&gt;
   set defaultcolorscheme &amp;quot;Jmol&amp;quot;;&lt;br /&gt;
   set defaultdistancelabel &amp;quot;%VALUE %UNITS&amp;quot;;&lt;br /&gt;
   set defaultdrawarrowscale 0.5;&lt;br /&gt;
   set defaultlattice &amp;quot;{0 0 0}&amp;quot;;&lt;br /&gt;
   set defaultloadscript &amp;quot;&amp;quot;;&lt;br /&gt;
   set defaulttorsionlabel &amp;quot;%VALUE %UNITS&amp;quot;;&lt;br /&gt;
   set defaulttranslucent 0.5;&lt;br /&gt;
   set defaultvdw &amp;quot;Jmol&amp;quot;;&lt;br /&gt;
  set allowembeddedscripts true;&lt;br /&gt;
  set allowkeystrokes false;&lt;br /&gt;
  set allowrotateselected false;&lt;br /&gt;
  set appletproxy &amp;quot;&amp;quot;;&lt;br /&gt;
  set applysymmetrytobonds false;&lt;br /&gt;
  set atompicking true;&lt;br /&gt;
  set atomtypes &amp;quot;&amp;quot;;&lt;br /&gt;
  set autobond true;&lt;br /&gt;
  set autofps false;&lt;br /&gt;
  set autoloadorientation false;&lt;br /&gt;
  set axes window;&lt;br /&gt;
  set axesmode 0;&lt;br /&gt;
  set axesscale 2.0;&lt;br /&gt;
  set bondmodeor false;&lt;br /&gt;
  set bondpicking false;&lt;br /&gt;
  set bondradiusmilliangstroms 150;&lt;br /&gt;
  set bondtolerance 0.45;&lt;br /&gt;
  set cartoonrockets false;&lt;br /&gt;
  set chaincasesensitive false;&lt;br /&gt;
  set dataseparator &amp;quot;~~~&amp;quot;;&lt;br /&gt;
  set delaymaximumms 0;&lt;br /&gt;
  set dipolescale 1.0;&lt;br /&gt;
  set disablepopupmenu false;&lt;br /&gt;
  set displaycellparameters true;&lt;br /&gt;
  set dotdensity 3;&lt;br /&gt;
  set dotsselectedonly false;&lt;br /&gt;
  set dotsurface true;&lt;br /&gt;
  set dragselected false;&lt;br /&gt;
  set drawhover false;&lt;br /&gt;
  set drawpicking false;&lt;br /&gt;
  set dynamicmeasurements false;&lt;br /&gt;
  set ellipsoidarcs false;&lt;br /&gt;
  set ellipsoidaxes false;&lt;br /&gt;
  set ellipsoidaxisdiameter 0.02;&lt;br /&gt;
  set ellipsoidball true;&lt;br /&gt;
  set ellipsoiddotcount 200;&lt;br /&gt;
  set ellipsoiddots false;&lt;br /&gt;
  set ellipsoidfill false;&lt;br /&gt;
  set fontcaching true;&lt;br /&gt;
  set forceautobond false;&lt;br /&gt;
  set greyscalerendering false;&lt;br /&gt;
  set hbondsangleminimum 90.0;&lt;br /&gt;
  set hbondsbackbone false;&lt;br /&gt;
  set hbondsdistancemaximum 3.25;&lt;br /&gt;
  set hbondssolid false;&lt;br /&gt;
  set helixstep 1;&lt;br /&gt;
  set helppath &amp;quot;http://chemapps.stolaf.edu/jmol/docs/index.htm&amp;quot;;&lt;br /&gt;
  set hermitelevel 0;&lt;br /&gt;
  set hidenameinpopup false;&lt;br /&gt;
  set hidenavigationpoint false;&lt;br /&gt;
  set highresolution false;&lt;br /&gt;
  set historylevel 0;&lt;br /&gt;
  set hoverdelay 0.5;&lt;br /&gt;
  set imagestate true;&lt;br /&gt;
  set isosurfacepropertysmoothing true;&lt;br /&gt;
  set justifymeasurements false;&lt;br /&gt;
  set loadatomdatatolerance 0.01;&lt;br /&gt;
  set loadformat &amp;quot;http://www.rcsb.org/pdb/files/%FILE.pdb&amp;quot;;&lt;br /&gt;
  set measureallmodels false;&lt;br /&gt;
  set measurementlabels true;&lt;br /&gt;
  set messagestylechime false;&lt;br /&gt;
  set minbonddistance 0.4;&lt;br /&gt;
  set navigatesurface false;&lt;br /&gt;
  set navigationperiodic false;&lt;br /&gt;
  set navigationspeed 5.0;&lt;br /&gt;
  set pdbgetheader false;&lt;br /&gt;
  set pdbsequential false;&lt;br /&gt;
  set percentvdwatom 20;&lt;br /&gt;
  set pickingspinrate 10;&lt;br /&gt;
  set picklabel &amp;quot;&amp;quot;;&lt;br /&gt;
  set pointgroupdistancetolerance 0.2;&lt;br /&gt;
  set pointgrouplineartolerance 8.0;&lt;br /&gt;
  set propertyatomnumbercolumncount 0;&lt;br /&gt;
  set propertyatomnumberfield 0;&lt;br /&gt;
  set propertycolorscheme &amp;quot;roygb&amp;quot;;&lt;br /&gt;
  set propertydatacolumncount 0;&lt;br /&gt;
  set propertydatafield 0;&lt;br /&gt;
  set quaternionframe &amp;quot;p&amp;quot;;&lt;br /&gt;
  set rangeselected false;&lt;br /&gt;
  set ribbonaspectratio 16;&lt;br /&gt;
  set ribbonborder false;&lt;br /&gt;
  set rocketbarrels false;&lt;br /&gt;
  set selectallmodels true;&lt;br /&gt;
  set selecthetero true;&lt;br /&gt;
  set selecthydrogen true;&lt;br /&gt;
  set sheetsmoothing 1.0;&lt;br /&gt;
  set showhiddenselectionhalos false;&lt;br /&gt;
  set showhydrogens true;&lt;br /&gt;
  set showkeystrokes true;&lt;br /&gt;
  set showmeasurements true;&lt;br /&gt;
  set showmultiplebonds true;&lt;br /&gt;
  set shownavigationpointalways false;&lt;br /&gt;
  set smartaromatic true;&lt;br /&gt;
  set solventprobe false;&lt;br /&gt;
  set solventproberadius 1.2;&lt;br /&gt;
  set ssbondsbackbone false;&lt;br /&gt;
  set stereodegrees -5;&lt;br /&gt;
  set strandcountformeshribbon 7;&lt;br /&gt;
  set strandcountforstrands 5;&lt;br /&gt;
  set testflag1 false;&lt;br /&gt;
  set testflag2 false;&lt;br /&gt;
  set testflag3 false;&lt;br /&gt;
  set testflag4 false;&lt;br /&gt;
  set tracealpha true;&lt;br /&gt;
  set useminimizationthread true;&lt;br /&gt;
  set usenumberlocalization true;&lt;br /&gt;
  set vectorscale 3.0;&lt;br /&gt;
  set vibrationperiod 0.5;&lt;br /&gt;
  set vibrationscale 0.5;&lt;br /&gt;
  set wireframerotation false;&lt;br /&gt;
  set zoomlarge true;&lt;br /&gt;
  set zshade false;&lt;br /&gt;
&lt;br /&gt;
#user-defined variables; &lt;br /&gt;
# --no global user variables defined--;&lt;br /&gt;
&lt;br /&gt;
# label defaults;&lt;br /&gt;
  select none;&lt;br /&gt;
  color label none;&lt;br /&gt;
  background label none;&lt;br /&gt;
  set labelOffset 4 4;&lt;br /&gt;
  set labelAlignment left;&lt;br /&gt;
  set labelPointer off;&lt;br /&gt;
  font label 13.0 SansSerif Plain;&lt;br /&gt;
&lt;br /&gt;
}&lt;br /&gt;
&lt;br /&gt;
function _setModelState() {&lt;br /&gt;
&lt;br /&gt;
  select ({0:519});&lt;br /&gt;
  Spacefill 0.0;&lt;br /&gt;
  select BONDS ({0:519});&lt;br /&gt;
  wireframe 0.04;&lt;br /&gt;
&lt;br /&gt;
  measures delete;&lt;br /&gt;
  select *; set measures nanometers;&lt;br /&gt;
  font measures 15.0 SansSerif Plain;&lt;br /&gt;
  select measures ({null});&lt;br /&gt;
  select ({0:519});&lt;br /&gt;
  Vectors 0.1;&lt;br /&gt;
&lt;br /&gt;
  boundBox off;&lt;br /&gt;
&lt;br /&gt;
  frank on;&lt;br /&gt;
  font frank 16.0 SansSerif Bold;&lt;br /&gt;
  frame 1.1; moveto -1.0 { -999 -40 -36 93.49} 100.0 0.1 0.13 {0.0 0.0 0.27606106} 4.35575 {0.0 0.0 0.0} 0.0061642947 3.7868779 0.0;&lt;br /&gt;
  frame 1.2; moveto -1.0 { -999 -40 -36 93.49} 100.0 0.1 0.13 {0.0 0.0 0.27606106} 4.35575 {0.0 0.0 0.0} 0.0061642947 3.7868779 0.0;&lt;br /&gt;
  set fontScaling false;&lt;br /&gt;
&lt;br /&gt;
}&lt;br /&gt;
&lt;br /&gt;
function _setFrameState() {&lt;br /&gt;
# frame state;&lt;br /&gt;
# modelCount 40;&lt;br /&gt;
# first 1.1;&lt;br /&gt;
# last 1.40;&lt;br /&gt;
  frame RANGE 1.1 1.40;&lt;br /&gt;
  animation DIRECTION +1;&lt;br /&gt;
  animation FPS 10;&lt;br /&gt;
  animation MODE ONCE 0.0 0.0;&lt;br /&gt;
  frame 1.35;&lt;br /&gt;
  animation OFF;&lt;br /&gt;
}&lt;br /&gt;
&lt;br /&gt;
function _setPerspectiveState() {&lt;br /&gt;
  set perspectiveModel 11;&lt;br /&gt;
  set scaleAngstromsPerInch 0.0;&lt;br /&gt;
  set perspectiveDepth true;&lt;br /&gt;
  set visualRange 5.0;&lt;br /&gt;
  set cameraDepth 3.0;&lt;br /&gt;
  boundbox corners {-2.1618116 0.0 -2.1425958} {2.1618116 0.0 2.694718} # volume = 0.0;&lt;br /&gt;
  center {0.0 0.0 0.27606106};&lt;br /&gt;
  moveto 0.0 { -999 -40 -36 93.49} 100.0 0.1 0.13 {0.0 0.0 0.27606106} 4.35575 {0.0 0.0 0.0} 0.0061642947 3.7868779 0.0;;&lt;br /&gt;
  slab 100;depth 0;&lt;br /&gt;
  set spinX 0; set spinY 30; set spinZ 0; set spinFps 30;  set navX 0; set navY 0; set navZ 0; set navFps 10;&lt;br /&gt;
  vibration ON;&lt;br /&gt;
}&lt;br /&gt;
&lt;br /&gt;
function _setSelectionState() {&lt;br /&gt;
  select ({0:519});&lt;br /&gt;
  set hideNotSelected false;&lt;br /&gt;
}&lt;br /&gt;
&lt;br /&gt;
function _setState() {&lt;br /&gt;
  initialize;&lt;br /&gt;
  set refreshing false;&lt;br /&gt;
  _setWindowState;&lt;br /&gt;
  _setFileState;&lt;br /&gt;
  _setVariableState;&lt;br /&gt;
  _setModelState;&lt;br /&gt;
  _setFrameState;&lt;br /&gt;
  _setPerspectiveState;&lt;br /&gt;
  _setSelectionState;&lt;br /&gt;
  set refreshing true;&lt;br /&gt;
  set antialiasDisplay false;&lt;br /&gt;
  set antialiasTranslucent true;&lt;br /&gt;
  set antialiasImages true;&lt;br /&gt;
}&lt;br /&gt;
&lt;br /&gt;
_setState;&lt;br /&gt;
    &amp;lt;/script&amp;gt;&lt;br /&gt;
    &amp;lt;uploadedFileContents&amp;gt;PBE-DZP_Nitropyridin_IR.pseudo.log&amp;lt;/uploadedFileContents&amp;gt;&lt;br /&gt;
  &amp;lt;/jmolApplet&amp;gt;&lt;br /&gt;
&amp;lt;/jmol&amp;gt;&lt;br /&gt;
Nitropy asymm Streckschwingung des NO2 bei 1581 Wellenzahlen&lt;/div&gt;</summary>
		<author><name>Fkoehler</name></author>
	</entry>
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