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Issue Date
Title
Author(s)
Program
Calculation type
Method(s)
Basis Set
Energy
Solv.
Vibr.
Orb.
29-May-2024
/long-FOMe-X-OMe frq_ts_FOMe-ipso-AO-pA_1_2_1281284_out
Swart, Marcel
ADF; 2019; 304
Single point
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-F ts_FOMe-ipso-AO-pA_1_2_1284215_out
Swart, Marcel
ADF; 2019; 304
Single point Quild
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-F frq_ts_FOMe-ipso-AO-pA_1_2_1284599_out
Swart, Marcel
ADF; 2019; 304
Single point
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-OMe fwd_frq_ts_FOMe-ipso-AO-pA_1_2_1282199_out
Swart, Marcel
ADF; 2019; 304
Single point Quild
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-OMe fwd_frq_ts_FOMe-ipso-GH-pA_1_2_1282767_out
Swart, Marcel
ADF; 2019; 304
Single point Quild
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-F frq_rev_frq_ts_FOMe-gamma-CD-pA_1_2_1285638_out
Swart, Marcel
ADF; 2019; 304
Single point
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-OMe frq_rev_frq_ts_FOMe-ipso-AO-pA_1_2_1282993_out
Swart, Marcel
ADF; 2019; 304
Single point
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-F frq_rev_frq_ts_FOMe-ipso-GH-pA_1_2_1285786_out
Swart, Marcel
ADF; 2019; 304
Single point
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-OMe ts_FOMe-gamma-BC-pA_1_2_1303652_out
Swart, Marcel
ADF; 2019; 304
Single point Quild
S12g-x PBEc
TZ2P
-
29-May-2024
/long-FOMe-X-OMe ts_FOMe-ipso-AO-pA_1_2_1281142_out
Swart, Marcel
ADF; 2019; 304
Single point Quild
S12g-x PBEc
TZ2P
-
Results 901-910 of 998 (Search time: 0.002 seconds).
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375
Swart, Marcel
164
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54
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Electronic structure
164
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164
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164
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164
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97
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97
dicopper
97
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