Niporph Cyanopyridin 2zu1 coplanar-t IR schwingungen-jmolpage

rechte Maustaste/Modell ... zur Auswahl der anzuzeigenden Schwingung

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Jmol state version 11.8.7 2009-08-11 23:55;

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 set bondradiusmilliangstroms 150;
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 set percentvdwatom 20;
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 set pointgroupdistancetolerance 0.2;
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 set selectallmodels true;
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 set selecthydrogen true;
 set sheetsmoothing 1.0;
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 set showhydrogens true;
 set showkeystrokes true;
 set showmeasurements true;
 set showmultiplebonds true;
 set shownavigationpointalways false;
 set smartaromatic true;
 set solventprobe false;
 set solventproberadius 1.2;
 set ssbondsbackbone false;
 set stereodegrees -5;
 set strandcountformeshribbon 7;
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 set vectorscale 2.0;
 set vibrationperiod 0.5;
 set vibrationscale 0.5;
 set wireframerotation false;
 set zoomlarge true;
 set zshade false;

user-defined variables;
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label defaults;

 select none;
 color label none;
 background label none;
 set labelOffset 4 4;
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 set labelPointer off;
 font label 13.0 SansSerif Plain;

}

function _setModelState() {

 select ({0:30703});
 Spacefill 0.0;
 select BONDS ({0:34655});
 wireframe 0.12;

 measures delete;
 select *; set measures nanometers;
 font measures 15.0 SansSerif Plain;
 select measures ({null});
 select ({0:30703});
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 boundBox off;

 frank on;
 font frank 16.0 SansSerif Bold;
 frame 1.1; moveto -1.0 { 864 353 -359 99.45} 100.0 0.0 0.16 {0.0 0.0 0.02210617} 10.838539 {0.0 0.0 0.0} 0.0013241823 -0.11343511 0.0;
 frame 1.287; moveto -1.0 { 864 353 -359 99.45} 100.0 0.0 0.16 {0.0 0.0 0.02210617} 10.838539 {0.0 0.0 0.0} 0.0013241823 -0.11343511 0.0;
 set fontScaling false;

}

function _setFrameState() {

frame state;
modelCount 304;
first 1.1;
last 1.304;

 frame RANGE 1.1 1.304;
 animation DIRECTION +1;
 animation FPS 10;
 animation MODE ONCE 0.0 0.0;
 frame 1.288;
 animation OFF;

}

function _setPerspectiveState() {

 set perspectiveModel 11;
 set scaleAngstromsPerInch 0.0;
 set perspectiveDepth true;
 set visualRange 5.0;
 set cameraDepth 3.0;
 boundbox corners {-6.422249 -6.428316 -7.5961423} {6.422249 6.428316 7.6403546} # volume = 2516.1091;
 center {0.0 0.0 0.02210617};
 moveto 0.0 { 873 355 -334 101.53} 100.0 0.0 0.16 {0.0 0.0 0.02210617} 10.838539 {0.0 0.0 0.0} 2.4554372E-4 -0.11321433 0.0;;
 slab 100;depth 0;
 set spinX 0; set spinY 30; set spinZ 0; set spinFps 30;  set navX 0; set navY 0; set navZ 0; set navFps 10;
 vibration ON;

}

function _setSelectionState() {

 select ({0:30703});
 set hideNotSelected false;

}

function _setState() {

 initialize;
 set refreshing false;
 _setWindowState;
 _setFileState;
 _setVariableState;
 _setModelState;
 _setFrameState;
 _setPerspectiveState;
 _setSelectionState;
 set refreshing true;
 set antialiasDisplay false;
 set antialiasTranslucent true;
 set antialiasImages true;

}

_setState;

   </script>
   <uploadedFileContents>PBE-DZP_Niporph_Cyanopyridin_2zu1_coplanar-t.IR.pseudo.log</uploadedFileContents>
 </jmolApplet>

</jmol> CNPy-Porph Streckschwingung bei 2267 Wellenzahlen

Niporph Cyanopyridin 2zu1 coplanar-t IR schwingungen-jmolpage

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