Timeline for How to construct a QST2 input file for Gaussian16 for multiple reactants and products?
Current License: CC BY-SA 3.0
6 events
| when toggle format | what | by | license | comment | |
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| Dec 14, 2017 at 16:23 | comment | added | Deathbreath | The reverse reaction, which has the same transition state, breaks a triple bond. Even CC will likely have trouble with that. Consider computing the relaxed PES for extending the CN bond in the presence of H$_2$, since the reaction is a single atom coming from infinity. | |
| Nov 29, 2017 at 4:52 | history | tweeted | twitter.com/StackChemistry/status/935733056060747776 | ||
| Nov 28, 2017 at 3:58 | history | edited | Martin - マーチン♦ | CC BY-SA 3.0 |
deleted 117 characters in body; edited tags; edited title
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| Nov 28, 2017 at 3:54 | answer | added | Martin - マーチン♦ | timeline score: 4 | |
| Nov 28, 2017 at 1:40 | review | First posts | |||
| Nov 28, 2017 at 2:54 | |||||
| Nov 28, 2017 at 1:39 | history | asked | pennypeat | CC BY-SA 3.0 |