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ECOSTBio
Extra-Intra_diol
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Issue Date
Title
Author(s)
Program
Calculation type
Method(s)
Basis Set
Energy
Solv.
Vibr.
Orb.
22-Jul-2017
/L-N2Me2/STEP_3 SP_step3_M04_S12g
Angelone, Davide
ADF; 2016
Single point
DFT
TZ2P
-
22-Jul-2017
/L-N2Me2/STEP_1 SP_step1_M06_S12g
Angelone, Davide
ADF; 2016
Single point
DFT
TZ2P
-
22-Jul-2017
/L-N2Me2/STEP_2 SP_step2_M06_S12g
Angelone, Davide
ADF; 2016
Single point
DFT
TZ2P
-
22-Jul-2017
/L-N2H2/STEP_5_TS56 SP_TS56i_H04_S12g
Angelone, Davide
ADF; 2016
Single point
DFT
TZ2P
-
22-Jul-2017
/L-N2H2/STEP_5_TS56 SP_TS56i_H02_S12g
Angelone, Davide
ADF; 2016
Single point
DFT
TZ2P
-
22-Jul-2017
/L-N2H2/STEP_5_TS56 SP_TS56e_H06_S12g
Angelone, Davide
ADF; 2016
Single point
DFT
TZ2P
-
22-Jul-2017
/L-N2H2/STEP_5_TS56 SP_TS56e_H04_S12g
Angelone, Davide
ADF; 2016
Single point
DFT
TZ2P
-
22-Jul-2017
/L-N2Me2/STEP_3 SP_step3_M02_S12g
Angelone, Davide
ADF; 2016
Single point
DFT
TZ2P
-
22-Jul-2017
/L-N2Me2/STEP_1 SP_step1_M08_S12g
Angelone, Davide
ADF; 2016
Single point
DFT
TZ2P
-
22-Jul-2017
/L-N2Me2/STEP_2 SP_step2_M04_S12g
Angelone, Davide
ADF; 2016
Single point
DFT
TZ2P
-
Results 41-50 of 86 (Search time: 0.0 seconds).
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Subject
86
Biomimetic
86
Caechol
86
Cathecholase
86
DFT
86
oxidation
Program name
86
ADF
Method
86
DFT