![]() Post memes/jokes in /r/chemistrymemes and /r/chemistryjokes. Any such posts will be deleted.Īsk education and jobs questions in the current weekly topic. Oh and of course if you got a more complex system than one atom you want to not only define the distance of that dummy atom but also the angles, so it's. If you're looking for a more concentrated, advanced discussion of chemistry topics among professionals and grad students, check out /r/Chempros.īefore asking "What chemical is this?" see this chart. You can substitute the 'Na' line with your cartesian coordinates, but then the numbering in the z-matrix section changes you have to adopt those numbers. Click here for the OSHA chemical data site and here for a multicompany MSDS aggregate search. Here you can format and select z-matrix for Gaussian input. Using the above Z-matrix, the full C3v symmetry of ammonia is recognized by Gaussian, but optimization is consequently performed in the Cs point group due. Just draw the molecule, then navigate to menu Extensions Gaussian. Solution 2 Avogadro, nice, clean and very user friendly. Gelessus, Impressum, Datenschutzerklrung. Solution 1 Try Open Babel, the windows GUI has a lot of features that may be of help depending on what are those specifics you need in your Z-matrix. If you spill/injure yourself contact medical professionals and read the MSDS, do not post to this reddit. Gelessus, Impressum, Datenschutzerklrung/DataPrivacyStatement th 2022 by A. Yes links to blogs, images, videos, comics, and infographics are okay especially if they are on your personal website. The Z-matrix in Computational Chemistry 5381 2019 L07 Physical Chemistry (PCHEM) at Sam 2.69K subscribers Subscribe 3.6K views 3 years ago 2019 5381 Lectures - Thermodynamics Defining the molecular. No physorg, sciencedaily, or other press release aggregator spam! Since I use CFOUR (not GAUSSIAN), I know of this page that might help with learning about dummy atoms for Z-matrices (search for 'dummy'):. If a caption or explanation is included this helps, but please use your discretion.īefore asking about chemical drawing/illustration programs, look at your school's IT/software website and see if they provide an institutional license of ChemDraw (hint: if they have a chemistry department, they will) \begingroup QuantumX Okay, then if you're using ZMAT, there's always strange oddities that require dummy atoms (this is not just in Gaussian, but also in CFOUR, for example). Likewise, simple pictures of uninteresting and garden variety chemistry-related things are not appreciated. No memes, rage comics, image macros, reaction gifs, or other "zero-content" material. However, academic discussions on pharmaceutical chemistry and the science of explosives are permitted. Rules: Violating a rule will result in a ban.Īsk homework, exam, lab, and other undergraduate-level questions at ChemicalForums otherwise it will be deleted.ĭiscussions on illicit drug synthesis, bomb making, and other illegal activities are not allowed and will lead to a ban. ![]()
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