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https://github.com/LCPQ/QUESTDB_website.git
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Fix experimental
This commit is contained in:
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# Molecule : Acetone
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# Molecule : Acetone
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp.$^c$,Litt.
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# method : experimental
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# geom :
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Acrolein
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# Molecule : Acrolein
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp.$^c$,Litt.
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# method : experimental
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# geom :
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Benzene
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# Molecule : Benzene
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp.$^e$,Litt.
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# method : experimental
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# geom :
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Benzene
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# Molecule : Benzene
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp.$^f$,Litt.
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# method : experimental
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# geom :
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Butadiene
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# Molecule : Butadiene
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp$^e$,Litt.
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# method : experimental
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# geom :
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Cyanoacetylene
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# Molecule : Cyanoacetylene
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp.$^b$,Litt.
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# method : experimental
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# geom :
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Cyanoformaldehyde
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# Molecule : Cyanoformaldehyde
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp$^d$,Litt.
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# method : experimental
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Cyanogen
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# Molecule : Cyanogen
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# Comment :
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# Comment :
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# code :
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# method : Exp.$^d$,Litt.
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# method : experimental
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Cyclopentadiene
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# Molecule : Cyclopentadiene
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp.$^e$,Litt.
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# method : experimental
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# geom :
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Cyclopentadiene
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# Molecule : Cyclopentadiene
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp.$^f$,Litt.
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# method : experimental
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# geom :
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Cyclopentadiene
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# Molecule : Cyclopentadiene
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp.$^g$,Litt.
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# method : experimental
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# geom :
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Cyclopropenone
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# Molecule : Cyclopropenone
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp.$^b$,Litt.
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# method : experimental
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# geom :
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Diacetylene
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# Molecule : Diacetylene
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp.$^e$,Litt.
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# method : experimental
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# geom :
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Furan
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# Molecule : Furan
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp.$^f$,Litt.
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# method : experimental
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# geom :
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Furan
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# Molecule : Furan
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp.$^g$,Litt.
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# method : experimental
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Glyoxal
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# Molecule : Glyoxal
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp.$^h$,Litt.
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# method : experimental
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# geom :
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Imidazole
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# Molecule : Imidazole
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp.$^j$,Litt.
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# method : experimental
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# geom :
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Isobutene
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# Molecule : Isobutene
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# Comment :
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# Comment :
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# code :
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# method : Exp.$^f$,Litt.
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# method : experimental
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Isobutene
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# Molecule : Isobutene
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# Comment :
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# Comment :
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# code :
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# method : Exp.$^g$,Litt.
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# method : experimental
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Methylenecyclopropene
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# Molecule : Methylenecyclopropene
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp.$^e$,Litt.
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# method : experimental
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Propynal
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# Molecule : Propynal
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp$^h$,Litt.
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# method : experimental
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Pyrazine
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# Molecule : Pyrazine
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# Comment :
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# code :
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# method : Exp.$^e$,Litt.
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# method : experimental
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Pyrazine
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# Molecule : Pyrazine
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# Comment :
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# Comment :
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# code :
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# method : Exp.$^f$,Litt.
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# method : experimental
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Pyridazine
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# Molecule : Pyridazine
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# Comment :
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# method : Exp.$^e$,Litt.
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# method : experimental
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Pyridazine
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# Molecule : Pyridazine
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# Comment :
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# code :
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# method : Exp.$^f$,Litt.
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# method : experimental
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Pyridine
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# Molecule : Pyridine
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# Comment :
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# method : Exp.$^h$,Litt.
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# method : experimental
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# geom :
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Pyridine
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# Molecule : Pyridine
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# Comment :
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# code :
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# method : Exp.$^i$,Litt.
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# method : experimental
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Pyrimidine
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# Molecule : Pyrimidine
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# Comment :
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# method : Exp.$^e$,Litt.
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Pyrimidine
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# Molecule : Pyrimidine
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# Comment :
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# method : Exp.$^f$,Litt.
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Pyrrole
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# Molecule : Pyrrole
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# Comment :
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# method : Exp.$^l$,Litt.
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Tetrazine
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# Molecule : Tetrazine
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# Comment :
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# code :
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# method : Exp.$^l$,Litt.
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Thiophene
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# Molecule : Thiophene
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# Comment :
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# code :
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# method : Exp.$^p$,Litt.
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# method : experimental
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Thiophene
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# Molecule : Thiophene
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# Comment :
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# Comment :
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# code :
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# code :
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# method : Exp.$^q$,Litt.
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Thiophene
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# Molecule : Thiophene
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# Comment :
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# Comment :
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# code :
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# method : Exp.$^r$,Litt.
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Thiopropynal
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# Molecule : Thiopropynal
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# Comment :
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# Comment :
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# code :
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# method : Exp$^j$,Litt.
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# DOI : 10.1021/acs.jctc.9b01216
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# DOI : 10.1021/acs.jctc.9b01216
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# Molecule : Triazine
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# Molecule : Triazine
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# Comment :
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# Comment :
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# code :
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# method : Exp.$^e$,Litt.
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# DOI : 10.1021/acs.jctc.9b01216
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