Diels-Alder Transition State – 1
Author: Max Lehner, Dennis Svatunek
Date:
11.01.2024
Version:
1.0
License:
CC BY-NC
Description:
Transition state between ethylene and 1,3-butadiene
View Code
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* (null), Energy -276.0000000
C -1.609390 -0.693786 -0.228737 0.40 -0.08 0.13
C -1.607883 0.696798 -0.229117 0.40 0.08 0.13
C 0.470743 1.451640 0.498386 -0.36 -0.13 -0.12
C 1.333020 0.708618 -0.298142 -0.02 -0.05 -0.02
C 1.331206 -0.711330 -0.298232 -0.02 0.05 -0.02
C 0.467194 -1.452328 0.498381 -0.36 0.13 -0.12
H 0.416842 2.547074 0.388711 -0.29 -0.11 -0.07
H -1.484881 1.251719 -1.170809 -0.08 -0.03 -0.01
H -2.093806 1.252281 0.588655 -0.03 -0.04 -0.04
H 0.125301 -1.063021 1.468280 0.13 -0.01 0.12
H -1.487617 -1.249271 -1.170253 -0.08 0.03 -0.01
H 0.410763 -2.547633 0.388638 -0.29 0.11 -0.07
H -2.096750 -1.247686 0.589248 -0.03 0.04 -0.04
H 0.127519 1.062863 1.468011 0.13 0.01 0.12
H 1.885070 -1.226223 -1.102955 0.06 -0.01 0.08
H 1.888224 1.222224 -1.102764 0.06 0.01 0.08
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viewer.addModel(xyz, "xyz");
viewer.vibrate(10, 0.8, true);
viewer.setStyle({}, {stick: {radius: 0.15}, sphere: {scale: 0.25}});
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viewer.zoom(1.4);
viewer.setBackgroundColor('#f9f9f9');
viewer.rotate(80, {x: 1, y: 0, z: 0});
viewer.setView([0.12027781249999998,-0.0001211874999999113,-0.01795631250000003,130.68219630192718,-0.006246902851450353,0.16876950883486358,0.7346235428630277,0.6571195320212124]);
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