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Institute of Chemical Research of Catalonia
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Bo Research Group
Theoretical_Circular_Dichroism
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Issue Date
Title
Author(s)
Program
Calculation type
Method(s)
Basis Set
Energy
Solv.
Vibr.
Orb.
26-Nov-2021
/Circular_Dichroism CD_Center_of_Cluster_0_(S)
Villar-Yanez, Alba
ADF; 2019
Single point
SAOP
TZP
-
26-Nov-2021
/Circular_Dichroism CD_Center_of_Cluster_2_(S)
Villar-Yanez, Alba
ADF; 2019
Single point
SAOP
TZP
-
26-Nov-2021
/Circular_Dichroism CD_Center_of_Cluster_9_(R)
Villar-Yanez, Alba
ADF; 2019
Single point
SAOP
TZP
-
26-Nov-2021
/Circular_Dichroism CD_Center_of_Cluster_3_(S)
Villar-Yanez, Alba
ADF; 2019
Single point
SAOP
TZP
-
26-Nov-2021
/Circular_Dichroism CD_Center_of_Cluster_1_(S)
Villar-Yanez, Alba
ADF; 2019
Single point
SAOP
TZP
-
26-Nov-2021
/Circular_Dichroism CD_(S)-2,3-allenol
Villar-Yanez, Alba
ADF; 2019
Single point
SAOP
TZP
-
26-Nov-2021
/Circular_Dichroism CD_Center_of_Cluster_8_(S)
Villar-Yanez, Alba
ADF; 2019
Single point
SAOP
TZP
-
26-Nov-2021
/Circular_Dichroism CD_Center_of_Cluster_9_(S)
Villar-Yanez, Alba
ADF; 2019
Single point
SAOP
TZP
-
26-Nov-2021
/Circular_Dichroism CD_Center_of_Cluster_4_(S)
Villar-Yanez, Alba
ADF; 2019
Single point
SAOP
TZP
-
26-Nov-2021
/Circular_Dichroism CD_Center_of_Cluster_5_(S)
Villar-Yanez, Alba
ADF; 2019
Single point
SAOP
TZP
-
Results 1-10 of 22 (Search time: 0.002 seconds).
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Subject
22
Allenes
22
Allenols
22
Circular dichroism
22
DFT
22
Enantioselectivity
22
UV/Vis spectroscopy
Program name
22
ADF
Method
22
SAOP