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University of Copenhagen
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Gemma C. Solomon group
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Issue Date
Title
Author(s)
Program
Calculation type
Method(s)
Basis Set
Energy
Solv.
Vibr.
Orb.
13-Aug-2025
/dft_calculations/electrostatic_field/no_field moved_-0_529
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5282674481; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/no_field moved_0_353
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5253241839; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/no_field moved_0_206
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5312975686; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/no_field moved_0_5
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5128626630; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/no_field moved_-2_0
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5172947573; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/weak_field moved_0_0588
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5362232993; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/weak_field moved_0_206
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5340813647; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/weak_field moved_0_353
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5280910614; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/no_field moved_0_0588
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5334223860; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/no_field moved_-0_235
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5319237131; Eh
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Molecular electronics
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