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Marcel Swart community
Garcia-Bosch
Cu-promoted ipso-hydroxylation of sp2 bonds with concomitant aromatic 1,2-rearrangement involving a Cu-oxyl-hydroxo species
Enhanced PCET Reactivity by a Mononuclear Nickel(II)-Hydroxide Radical Complex
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Issue Date
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Solv.
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Orb.
29-May-2024
/long-FOMe-X-F frq_fwd_frq_ts_FOMe-ipso-FG-pA_1_2_1285856_out
Swart, Marcel
ADF; 2019; 304
Single point
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-F frq_fwd_frq_ts_FOMe-ipso-AO-pA_1_2_1285785_out
Swart, Marcel
ADF; 2019; 304
Single point
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-F frq_fwd_frq_ts_FOMe-gamma-CD-pA_1_2_1285642_out
Swart, Marcel
ADF; 2019; 304
Single point
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-F frq_fwd_frq_ts_FOMe-gamma-BC-pA_1_2_1285640_out
Swart, Marcel
ADF; 2019; 304
Single point
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-F frq_fwd_frq_ts_FOMe-gamma-AB-pA_1_2_1283958_out
Swart, Marcel
ADF; 2019; 304
Single point
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-F fwd_frq_ts_FOMe-ipso-GH-pA_1_2_1285287_out
Swart, Marcel
ADF; 2019; 304
Single point Quild
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-F fwd_frq_ts_FOMe-ipso-FG-pA_1_2_1285284_out
Swart, Marcel
ADF; 2019; 304
Single point Quild
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-F frq_ts_FOMe-ipso-GH-pA_1_2_1284607_out
Swart, Marcel
ADF; 2019; 304
Single point
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-F fwd_frq_ts_FOMe-ipso-AO-pA_1_2_1285280_out
Swart, Marcel
ADF; 2019; 304
Single point Quild
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-F fwd_frq_ts_FOMe-gamma-CD-pA_1_2_1285048_out
Swart, Marcel
ADF; 2019; 304
Single point Quild
S12g-x PBEc
TZ2P
-
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S12g-x PBEc