C2H8N2, 1,1-Dimethylhydrazine, Geometry optimization and IR spectrum in 1 minute, SPEED UP
Автор: Serkan Güldal
Загружено: 2021-08-07
Просмотров: 91
A speed-up simulation example from drawing molecular geometry to visualization of the IR spectrum.
All done by FREE programs!
Here is the details of the simulation:
Hartree-Fock and SV / Hartree-Fock ve SV
UFF - Universal Force Field
IR - Infrared Spectrum
Geometry Optimization / Geometri Optimizasyonu
ORCA 5.0.1, https://orcaforum.kofo.mpg.de/app.php...
Avogadro 1.2.0, https://avogadro.cc/
Notepad++ 7.9.1, https://notepad-plus-plus.org/
gnuplot 5.2 patch level 6, http://www.gnuplot.info/
#Computation #Quantum #spectroscopy #ORCA #Avogadro #gnuplot #Structure 3D Structure
Resources for more information
https://webbook.nist.gov/cgi/cbook.cg...
https://pubchem.ncbi.nlm.nih.gov/comp...
https://www.chemspider.com/Chemical-S...
https://www.ebi.ac.uk/chebi/searchId....
https://www.sciencedirect.com/topics/...
https://en.wikipedia.org/wiki/Unsymme...
Synonyms;
1,1-Dimethylhydrazine [ACD/IUPAC Name]
1,1-Dimethylhydrazin [German] [ACD/IUPAC Name]
1,1-Diméthylhydrazine [French] [ACD/IUPAC Name]
200-316-0 [EINECS]
4WPQ90N53J
57-14-7 [RN]
605261 [Beilstein]
asym-Dimethylhydrazine
Dimethylhydrazine unsymmetrical
Dimethylhydrazine, 1,1-
Dimethylhydrazine, as
Hydrazine, 1,1-dimethyl- [ACD/Index Name]
Hydrazine, dimethyl-
Hydrazine, N,N-dimethyl-
MFCD00007628 [MDL number]
N,N-Dimethylhydrazine
N,N-Dimethyl-hydrazine
Unsymmetrical dimethylhydrazine [Wiki]
unzym-Dimethylhydrazine
(CH3)2NNH2 [Formula]
1,1-Dimethyl hydrazine
1,1-Dimethylhydrazin [German]
1.1-Dimethylhydrazine
249-042-3 [EINECS]
4-01-00-01629 [Beilstein]
4-04-00-03322 (Beilstein Handbook Reference) [Beilstein]
as-Dimethyl hydrazine
as-Dimethylhydrazine
Asymmetric dimethylhydrazine
asymmetric-Dimethylhydrazine
Dentalone
Dimazin
Dimazine
Dimethyl hydrazine (asymetrical)
DIMETHYLHYDRAZINE [Wiki]
Dimethylhydrazine, unsym.
Dimethylhydrazine, unsymmetrical
DMH
EINECS 200-316-0
gem-Dimethylhydrazine
https://mcule.com/MCULE-8775366011
https://www.ebi.ac.uk/chebi/searchId....
N,N-Dimetilidrazina [Italian]
N,N-Dimetilidrazina [Italian]
N1,N1-dimethylhydrazine
Niesymetryczna dwu metylohydrazyna [Polish]
Niesymetryczna dwu metylohydrazyna [Polish]
UDMH
UN 1163
UNII:4WPQ90N53J
UNII-4WPQ90N53J
uns-dimethylhydrazine
unsym-dimethylhydrazine
UNSYM-DIMETHYLHYDRAZINE,99%
unsymmetrical-Dimethylhydrazine
WLN: ZN1&1
ZN1&1 [WLN]
偏二甲肼 [Chinese]

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