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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/weak_field moved_0_5
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5156130885; 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/weak_field moved_-0_0882
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5360872742; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/weak_field moved_-0_971
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5260635291; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/weak_field moved_-0_235
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5347579666; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/weak_field moved_-0_824
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5275268520; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/weak_field moved_-0_676
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5292430157; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/weak_field moved_-0_382
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5330150136; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/weak_field moved_-0_529
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5311329239; Eh
13-Aug-2025
/dft_calculations/electrostatic_field/weak_field moved_-1_26
Bro-Jørgensen, William
-
Single point
DFT
def2-SVP
-989.5236646045; Eh
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Bro-Jørgensen, William
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Molecular electronics
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Machine learning
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