Dec 27, 2021 · Again, plotting the molecule, calculating the bond angles and lengths is easy. The problem is to put them on the same image in the right place.
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Hi, is it possible to draw a molecule out of an XYZ coordinate file and make the program automatically put the bond lengths or the bond angles on the output ...
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How to identify small molecules in a structure without bonds
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Apr 4, 2024 · I used OpenBabel with the --separate option. From the documentation: --separate. Separate disconnected fragments into individual molecular ...
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Jul 26, 2020 · My question is: is it possible to calculate bond lengths according to the IR spectra? If it is yes, let me know how to determine it. If it is no ...
Oct 29, 2015 · I'd like to add that bond angles (as well as bond lengths) of (simple) molecules in the gas phase can be determined by rotational spectroscopy.
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Jan 29, 2023 · Molecular geometry, also known as the molecular structure, is the three-dimensional structure or arrangement of atoms in a molecule.
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Mar 30, 2014 · Now whilst, this looks to be correct, I think that the bond lengths are a little bit too long, and also the angles of the bonds are too steep.
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Nov 11, 2016 · What am I trying to do is to make a script that calculates all chemically reasonable torsion angles in any molecule. For one torsional angle I ...
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