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- DART 647
- De novo Protein Design 273
- dearomatisation 982
- Dehydrogenation 22
- Dehydrogenative Coupling 78
- Denitrification 15
- Density functional calculations 10020
- density functional theory 382
- DFT 554
- dft 128
- DFT benchmarking 129
- Diamination 26
- Diazo compounds 34
- Dications 216
- Differential Mobility Spectrometry 45
- Dimerization 179
- Dipole 2492
- DLPNO-CCSD(T) 506
- DLPNO-CCSDT 3
- double-ended method 616