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Complex environments
2
Density functional theory
2
Dynamics
2
Gaussian basis functions
2
Quantum theory
2
Bacterial Proteins
1
Bins
1
Biology
1
Calculations
1
Chemical environment
1
Computational spectroscopy
1
Computer graphics
1
Current voltage characteristics
1
Current voltage curve
1
DFT
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Electron transport properties
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Electrons
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Equations of motion
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Exchange correlation energy
1
Formamides
1
Free energy
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GPU
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Graphics Processing Unit
1
Hamiltonians
1
Heme
1
Hemeproteins
1
Historical evolutions
1
Initial perturbation
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Iron
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Kohn Sham equations
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