From cd672261018b29d791628f725c7699234868de74 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Micka=C3=ABl=20V=C3=A9ril?= Date: Mon, 10 Feb 2020 12:04:44 +0100 Subject: [PATCH] Fix experimental --- static/data/abs/acetone_Exp.$^c$_Litt..dat | 2 +- static/data/abs/acrolein_Exp.$^c$_Litt..dat | 2 +- static/data/abs/benzene_Exp.$^e$_Litt..dat | 2 +- static/data/abs/benzene_Exp.$^f$_Litt..dat | 2 +- static/data/abs/butadiene_Exp$^e$_Litt..dat | 2 +- static/data/abs/cyanoacetylene_Exp.$^b$_Litt..dat | 2 +- static/data/abs/cyanoformaldehyde_Exp$^d$_Litt..dat | 2 +- static/data/abs/cyanogen_Exp.$^d$_Litt..dat | 2 +- static/data/abs/cyclopentadiene_Exp.$^e$_Litt..dat | 2 +- static/data/abs/cyclopentadiene_Exp.$^f$_Litt..dat | 2 +- static/data/abs/cyclopentadiene_Exp.$^g$_Litt..dat | 2 +- static/data/abs/cyclopropenone_Exp.$^b$_Litt..dat | 2 +- static/data/abs/diacetylene_Exp.$^e$_Litt..dat | 2 +- static/data/abs/furan_Exp.$^f$_Litt..dat | 2 +- static/data/abs/furan_Exp.$^g$_Litt..dat | 2 +- static/data/abs/glyoxal_Exp.$^h$_Litt..dat | 2 +- static/data/abs/imidazole_Exp.$^j$_Litt..dat | 2 +- static/data/abs/isobutene_Exp.$^f$_Litt..dat | 2 +- static/data/abs/isobutene_Exp.$^g$_Litt..dat | 2 +- static/data/abs/methylenecyclopropene_Exp.$^e$_Litt..dat | 2 +- static/data/abs/propynal_Exp$^h$_Litt..dat | 2 +- static/data/abs/pyrazine_Exp.$^e$_Litt..dat | 2 +- static/data/abs/pyrazine_Exp.$^f$_Litt..dat | 2 +- static/data/abs/pyridazine_Exp.$^e$_Litt..dat | 2 +- static/data/abs/pyridazine_Exp.$^f$_Litt..dat | 2 +- static/data/abs/pyridine_Exp.$^h$_Litt..dat | 2 +- static/data/abs/pyridine_Exp.$^i$_Litt..dat | 2 +- static/data/abs/pyrimidine_Exp.$^e$_Litt..dat | 2 +- static/data/abs/pyrimidine_Exp.$^f$_Litt..dat | 2 +- static/data/abs/pyrrole_Exp.$^l$_Litt..dat | 2 +- static/data/abs/tetrazine_Exp.$^l$_Litt..dat | 2 +- static/data/abs/thiophene_Exp.$^p$_Litt..dat | 2 +- static/data/abs/thiophene_Exp.$^q$_Litt..dat | 2 +- static/data/abs/thiophene_Exp.$^r$_Litt..dat | 2 +- static/data/abs/thiopropynal_Exp$^j$_Litt..dat | 2 +- static/data/abs/triazine_Exp.$^e$_Litt..dat | 2 +- 36 files changed, 36 insertions(+), 36 deletions(-) diff --git a/static/data/abs/acetone_Exp.$^c$_Litt..dat b/static/data/abs/acetone_Exp.$^c$_Litt..dat index 815ee3b8..216ba93a 100644 --- a/static/data/abs/acetone_Exp.$^c$_Litt..dat +++ b/static/data/abs/acetone_Exp.$^c$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Acetone # Comment : # code : -# method : Exp.$^c$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/acrolein_Exp.$^c$_Litt..dat b/static/data/abs/acrolein_Exp.$^c$_Litt..dat index 65b29113..a1b5b333 100644 --- a/static/data/abs/acrolein_Exp.$^c$_Litt..dat +++ b/static/data/abs/acrolein_Exp.$^c$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Acrolein # Comment : # code : -# method : Exp.$^c$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/benzene_Exp.$^e$_Litt..dat b/static/data/abs/benzene_Exp.$^e$_Litt..dat index 2dc0ed7d..6320cc04 100644 --- a/static/data/abs/benzene_Exp.$^e$_Litt..dat +++ b/static/data/abs/benzene_Exp.$^e$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Benzene # Comment : # code : -# method : Exp.$^e$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/benzene_Exp.$^f$_Litt..dat b/static/data/abs/benzene_Exp.$^f$_Litt..dat index 5be7692c..6ab312df 100644 --- a/static/data/abs/benzene_Exp.$^f$_Litt..dat +++ b/static/data/abs/benzene_Exp.$^f$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Benzene # Comment : # code : -# method : Exp.$^f$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/butadiene_Exp$^e$_Litt..dat b/static/data/abs/butadiene_Exp$^e$_Litt..dat index b4c1a4c8..53435fe0 100644 --- a/static/data/abs/butadiene_Exp$^e$_Litt..dat +++ b/static/data/abs/butadiene_Exp$^e$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Butadiene # Comment : # code : -# method : Exp$^e$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyanoacetylene_Exp.$^b$_Litt..dat b/static/data/abs/cyanoacetylene_Exp.$^b$_Litt..dat index 68c5537d..c798ef4a 100644 --- a/static/data/abs/cyanoacetylene_Exp.$^b$_Litt..dat +++ b/static/data/abs/cyanoacetylene_Exp.$^b$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Cyanoacetylene # Comment : # code : -# method : Exp.$^b$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyanoformaldehyde_Exp$^d$_Litt..dat b/static/data/abs/cyanoformaldehyde_Exp$^d$_Litt..dat index c17171f5..37f017b4 100644 --- a/static/data/abs/cyanoformaldehyde_Exp$^d$_Litt..dat +++ b/static/data/abs/cyanoformaldehyde_Exp$^d$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Cyanoformaldehyde # Comment : # code : -# method : Exp$^d$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyanogen_Exp.$^d$_Litt..dat b/static/data/abs/cyanogen_Exp.$^d$_Litt..dat index 3355d66f..33cf7186 100644 --- a/static/data/abs/cyanogen_Exp.$^d$_Litt..dat +++ b/static/data/abs/cyanogen_Exp.$^d$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Cyanogen # Comment : # code : -# method : Exp.$^d$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyclopentadiene_Exp.$^e$_Litt..dat b/static/data/abs/cyclopentadiene_Exp.$^e$_Litt..dat index 5e30e7cd..df4ccf2e 100644 --- a/static/data/abs/cyclopentadiene_Exp.$^e$_Litt..dat +++ b/static/data/abs/cyclopentadiene_Exp.$^e$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Cyclopentadiene # Comment : # code : -# method : Exp.$^e$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyclopentadiene_Exp.$^f$_Litt..dat b/static/data/abs/cyclopentadiene_Exp.$^f$_Litt..dat index d9c8da3f..6eeabf8f 100644 --- a/static/data/abs/cyclopentadiene_Exp.$^f$_Litt..dat +++ b/static/data/abs/cyclopentadiene_Exp.$^f$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Cyclopentadiene # Comment : # code : -# method : Exp.$^f$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyclopentadiene_Exp.$^g$_Litt..dat b/static/data/abs/cyclopentadiene_Exp.$^g$_Litt..dat index 3d508fe3..2d68ed0b 100644 --- a/static/data/abs/cyclopentadiene_Exp.$^g$_Litt..dat +++ b/static/data/abs/cyclopentadiene_Exp.$^g$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Cyclopentadiene # Comment : # code : -# method : Exp.$^g$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/cyclopropenone_Exp.$^b$_Litt..dat b/static/data/abs/cyclopropenone_Exp.$^b$_Litt..dat index 92983ea2..3a3563b7 100644 --- a/static/data/abs/cyclopropenone_Exp.$^b$_Litt..dat +++ b/static/data/abs/cyclopropenone_Exp.$^b$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Cyclopropenone # Comment : # code : -# method : Exp.$^b$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/diacetylene_Exp.$^e$_Litt..dat b/static/data/abs/diacetylene_Exp.$^e$_Litt..dat index 1be08fd4..08965e9e 100644 --- a/static/data/abs/diacetylene_Exp.$^e$_Litt..dat +++ b/static/data/abs/diacetylene_Exp.$^e$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Diacetylene # Comment : # code : -# method : Exp.$^e$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/furan_Exp.$^f$_Litt..dat b/static/data/abs/furan_Exp.$^f$_Litt..dat index 0038d327..3f2f9a6d 100644 --- a/static/data/abs/furan_Exp.$^f$_Litt..dat +++ b/static/data/abs/furan_Exp.$^f$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Furan # Comment : # code : -# method : Exp.$^f$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/furan_Exp.$^g$_Litt..dat b/static/data/abs/furan_Exp.$^g$_Litt..dat index cc700de5..fa153ea8 100644 --- a/static/data/abs/furan_Exp.$^g$_Litt..dat +++ b/static/data/abs/furan_Exp.$^g$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Furan # Comment : # code : -# method : Exp.$^g$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/glyoxal_Exp.$^h$_Litt..dat b/static/data/abs/glyoxal_Exp.$^h$_Litt..dat index 8fdf8435..0340131a 100644 --- a/static/data/abs/glyoxal_Exp.$^h$_Litt..dat +++ b/static/data/abs/glyoxal_Exp.$^h$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Glyoxal # Comment : # code : -# method : Exp.$^h$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/imidazole_Exp.$^j$_Litt..dat b/static/data/abs/imidazole_Exp.$^j$_Litt..dat index 4da5e25b..5402f9b4 100644 --- a/static/data/abs/imidazole_Exp.$^j$_Litt..dat +++ b/static/data/abs/imidazole_Exp.$^j$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Imidazole # Comment : # code : -# method : Exp.$^j$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/isobutene_Exp.$^f$_Litt..dat b/static/data/abs/isobutene_Exp.$^f$_Litt..dat index b30ba52b..8522ee17 100644 --- a/static/data/abs/isobutene_Exp.$^f$_Litt..dat +++ b/static/data/abs/isobutene_Exp.$^f$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Isobutene # Comment : # code : -# method : Exp.$^f$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/isobutene_Exp.$^g$_Litt..dat b/static/data/abs/isobutene_Exp.$^g$_Litt..dat index 450a1453..a8dba26a 100644 --- a/static/data/abs/isobutene_Exp.$^g$_Litt..dat +++ b/static/data/abs/isobutene_Exp.$^g$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Isobutene # Comment : # code : -# method : Exp.$^g$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/methylenecyclopropene_Exp.$^e$_Litt..dat b/static/data/abs/methylenecyclopropene_Exp.$^e$_Litt..dat index 5b0d6c07..62249a49 100644 --- a/static/data/abs/methylenecyclopropene_Exp.$^e$_Litt..dat +++ b/static/data/abs/methylenecyclopropene_Exp.$^e$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Methylenecyclopropene # Comment : # code : -# method : Exp.$^e$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/propynal_Exp$^h$_Litt..dat b/static/data/abs/propynal_Exp$^h$_Litt..dat index 304ddd82..07a67ae9 100644 --- a/static/data/abs/propynal_Exp$^h$_Litt..dat +++ b/static/data/abs/propynal_Exp$^h$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Propynal # Comment : # code : -# method : Exp$^h$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyrazine_Exp.$^e$_Litt..dat b/static/data/abs/pyrazine_Exp.$^e$_Litt..dat index bd0a773d..c24a1307 100644 --- a/static/data/abs/pyrazine_Exp.$^e$_Litt..dat +++ b/static/data/abs/pyrazine_Exp.$^e$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Pyrazine # Comment : # code : -# method : Exp.$^e$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyrazine_Exp.$^f$_Litt..dat b/static/data/abs/pyrazine_Exp.$^f$_Litt..dat index 626ca735..f2bc1ecb 100644 --- a/static/data/abs/pyrazine_Exp.$^f$_Litt..dat +++ b/static/data/abs/pyrazine_Exp.$^f$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Pyrazine # Comment : # code : -# method : Exp.$^f$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyridazine_Exp.$^e$_Litt..dat b/static/data/abs/pyridazine_Exp.$^e$_Litt..dat index 5ed6fd86..92355fc9 100644 --- a/static/data/abs/pyridazine_Exp.$^e$_Litt..dat +++ b/static/data/abs/pyridazine_Exp.$^e$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Pyridazine # Comment : # code : -# method : Exp.$^e$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyridazine_Exp.$^f$_Litt..dat b/static/data/abs/pyridazine_Exp.$^f$_Litt..dat index c717d291..05341703 100644 --- a/static/data/abs/pyridazine_Exp.$^f$_Litt..dat +++ b/static/data/abs/pyridazine_Exp.$^f$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Pyridazine # Comment : # code : -# method : Exp.$^f$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyridine_Exp.$^h$_Litt..dat b/static/data/abs/pyridine_Exp.$^h$_Litt..dat index b802eb48..0ca4e2b4 100644 --- a/static/data/abs/pyridine_Exp.$^h$_Litt..dat +++ b/static/data/abs/pyridine_Exp.$^h$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Pyridine # Comment : # code : -# method : Exp.$^h$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyridine_Exp.$^i$_Litt..dat b/static/data/abs/pyridine_Exp.$^i$_Litt..dat index 39e29358..46a598b8 100644 --- a/static/data/abs/pyridine_Exp.$^i$_Litt..dat +++ b/static/data/abs/pyridine_Exp.$^i$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Pyridine # Comment : # code : -# method : Exp.$^i$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyrimidine_Exp.$^e$_Litt..dat b/static/data/abs/pyrimidine_Exp.$^e$_Litt..dat index 2c983eca..436381b9 100644 --- a/static/data/abs/pyrimidine_Exp.$^e$_Litt..dat +++ b/static/data/abs/pyrimidine_Exp.$^e$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Pyrimidine # Comment : # code : -# method : Exp.$^e$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyrimidine_Exp.$^f$_Litt..dat b/static/data/abs/pyrimidine_Exp.$^f$_Litt..dat index 4b1e2143..de9ad7f8 100644 --- a/static/data/abs/pyrimidine_Exp.$^f$_Litt..dat +++ b/static/data/abs/pyrimidine_Exp.$^f$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Pyrimidine # Comment : # code : -# method : Exp.$^f$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/pyrrole_Exp.$^l$_Litt..dat b/static/data/abs/pyrrole_Exp.$^l$_Litt..dat index 5d649018..7a6b5163 100644 --- a/static/data/abs/pyrrole_Exp.$^l$_Litt..dat +++ b/static/data/abs/pyrrole_Exp.$^l$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Pyrrole # Comment : # code : -# method : Exp.$^l$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/tetrazine_Exp.$^l$_Litt..dat b/static/data/abs/tetrazine_Exp.$^l$_Litt..dat index 8b18033f..7eea3280 100644 --- a/static/data/abs/tetrazine_Exp.$^l$_Litt..dat +++ b/static/data/abs/tetrazine_Exp.$^l$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Tetrazine # Comment : # code : -# method : Exp.$^l$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/thiophene_Exp.$^p$_Litt..dat b/static/data/abs/thiophene_Exp.$^p$_Litt..dat index f9634111..7afc9273 100644 --- a/static/data/abs/thiophene_Exp.$^p$_Litt..dat +++ b/static/data/abs/thiophene_Exp.$^p$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Thiophene # Comment : # code : -# method : Exp.$^p$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/thiophene_Exp.$^q$_Litt..dat b/static/data/abs/thiophene_Exp.$^q$_Litt..dat index 096a99ba..3307c3b6 100644 --- a/static/data/abs/thiophene_Exp.$^q$_Litt..dat +++ b/static/data/abs/thiophene_Exp.$^q$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Thiophene # Comment : # code : -# method : Exp.$^q$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/thiophene_Exp.$^r$_Litt..dat b/static/data/abs/thiophene_Exp.$^r$_Litt..dat index cdf4ed8e..fceb8f4c 100644 --- a/static/data/abs/thiophene_Exp.$^r$_Litt..dat +++ b/static/data/abs/thiophene_Exp.$^r$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Thiophene # Comment : # code : -# method : Exp.$^r$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/thiopropynal_Exp$^j$_Litt..dat b/static/data/abs/thiopropynal_Exp$^j$_Litt..dat index 9126314f..6056fd17 100644 --- a/static/data/abs/thiopropynal_Exp$^j$_Litt..dat +++ b/static/data/abs/thiopropynal_Exp$^j$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Thiopropynal # Comment : # code : -# method : Exp$^j$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216 diff --git a/static/data/abs/triazine_Exp.$^e$_Litt..dat b/static/data/abs/triazine_Exp.$^e$_Litt..dat index c74ecd0b..8d5042bb 100644 --- a/static/data/abs/triazine_Exp.$^e$_Litt..dat +++ b/static/data/abs/triazine_Exp.$^e$_Litt..dat @@ -1,7 +1,7 @@ # Molecule : Triazine # Comment : # code : -# method : Exp.$^e$,Litt. +# method : experimental # geom : # DOI : 10.1021/acs.jctc.9b01216