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Keyword
- molecular dynamics2
- Active Space1
- Driven Similarity Renormalization Group1
- Intersystem crossing 1
- MULTIMODE1
- Radical1
- SVS-11
- Triplet state 1
- VCI/VSCF1
- Vibrational spectrum1
- antimicrobial peptide1
- cancer1
- carbon dioxide - water dimer1
- carbon dioxide hydrate clathrate1
- computational chemistry1
- hydrated HCl1
- lipid bilayer1
- membrane1
- molecular simulation1
- potential energy surface1