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- DFT 1
- DFT calculations 1
- Fourier transform infrared (FTIR) frequencies
- HSAB principle 1
- Pyrophosphate 1
- Quercetin molecule 1
- RRKM theory 1
- Research & information: general 1
- [NiFeSe] hydrogenase 1
- antioxidants 1
- chemical kinetics 1
- chemical reactivity theory 1
- concerted rotation of the hydroxyl groups 1
- condensed phase 1
- conformational mobility 1
- coordination complexes 1
- depressive disorder 1
- dispersion 1
- donor-acceptor systems 1
- electronic structure 1
- first-principles calculations 1
- fluoxetine 1
- free radical scavengers 1
- hydroxyl group 1
- information theory 1
- major 1
- master equation 1
- mechanical properties 1
- nanostructures 1
- optical properties 1
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