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electron
2
Bacterial Proteins
1
Chemical environment
1
Complex environments
1
Computer graphics
1
DFT
1
Density functional theory
1
Dynamics
1
Electrons
1
Exchange correlation energy
1
Formamides
1
Free energy
1
GPU
1
Gaussian basis functions
1
Graphics Processing Unit
1
Hamiltonians
1
Heme
1
Hemeproteins
1
Iron
1
Kohn Sham equations
1
Molecular Dynamics Simulation
1
Molecular environment
1
Molecules
1
Program processors
1
QM/MM
1
Quantum Theory
1
Quantum theory
1
TDDFT
1
Time dependent density functional theory
1
Water
1
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2JOUR
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3
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4JOUR