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Ab initio
1
Bond orbitals
1
DFT
1
FPT
1
Fermi contact
1
NMR couplings
1
Oxygen atoms
1
Shielding constants
1
article
1
carbon
1
chemical binding
1
chemical interaction
1
complex formation
1
energy
1
geometry
1
hydrogen
1
hydrogen bond
1
nuclear magnetic resonance
1
oxygen
1
quantum chemistry
1
water
1
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1
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2