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Issue Date
Title
Author(s)
Program
Calculation type
Method(s)
Basis Set
Energy
Solv.
Vibr.
Orb.
20-Mar-2024
/SCS-ADC2/scan_parameters/css cyclazine-css_0_20
Pires-Valverde, Danillo
TURBOMOLE; 7.5.0
Single point
ADC(2)
def2-TZVP
-
20-Mar-2024
/SCS-ADC2/scan_parameters/css cyclazine-css_0_26
Pires-Valverde, Danillo
TURBOMOLE; 7.5.0
Single point
ADC(2)
def2-TZVP
-
20-Mar-2024
/SCS-ADC2/scan_parameters/css cyclazine-css_0_32
Pires-Valverde, Danillo
TURBOMOLE; 7.5.0
Single point
ADC(2)
def2-TZVP
-
20-Mar-2024
/SCS-ADC2/scan_parameters/css cyclazine-css_0_30
Pires-Valverde, Danillo
TURBOMOLE; 7.5.0
Single point
ADC(2)
def2-TZVP
-
20-Mar-2024
/SCS-ADC2/scan_parameters/css cyclazine-css_0_36
Pires-Valverde, Danillo
TURBOMOLE; 7.5.0
Single point
ADC(2)
def2-TZVP
-
20-Mar-2024
/SCS-ADC2/scan_parameters/css cyclazine-css_0_34
Pires-Valverde, Danillo
TURBOMOLE; 7.5.0
Single point
ADC(2)
def2-TZVP
-
20-Mar-2024
/SCS-ADC2/scan_parameters/cos heptazine-cos_0_8
Pires-Valverde, Danillo
TURBOMOLE; 7.5.0
Single point
ADC(2)
def2-TZVP
-
20-Mar-2024
/SCS-ADC2/scan_parameters/cos heptazine-cos_0_7
Pires-Valverde, Danillo
TURBOMOLE; 7.5.0
Single point
ADC(2)
def2-TZVP
-
20-Mar-2024
/SCS-ADC2/scan_parameters/cos heptazine-cos_0_6
Pires-Valverde, Danillo
TURBOMOLE; 7.5.0
Single point
ADC(2)
def2-TZVP
-
20-Mar-2024
/SCS-ADC2/scan_parameters/cos heptazine-cos_0_5
Pires-Valverde, Danillo
TURBOMOLE; 7.5.0
Single point
ADC(2)
def2-TZVP
-
Results 41-50 of 92 (Search time: 0.002 seconds).
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Author
92
Pires-Valverde, Danillo
Program name
32
Orca
27
TURBOMOLE
21
Molcas
12
Gaussian
Calculation type
49
Geometry optimization
29
Single point
12
Geometry optimization Minimum
1
Geometry optimization Incomplete
1
Single point Incomplete
Method
27
ADC(2)
21
CASPT2
20
CASSCF
12
RPBE1PBE
12
TDA-FC
1
HF
