Materias dentro de su búsqueda.
Materias dentro de su búsqueda.
13C NMR
5
NMR
5
Protons
4
Couplings
3
Vicinal coupling constants
3
Ab initio LORG study
2
DFT/B3LYP
2
Equilibrium geometries
2
Ethane
2
Karplus equation
2
Molecular geometries
2
Proton-proton coupling constants
2
Vibrational contributions
2
article
2
13C SCS
1
17O NMR
1
17O NMR chemical shifts
1
1J(C,H)
1
1‐cis‐Methoxy‐1,3‐trans‐butadiene
1
1‐trans‐Methoxy‐1,3‐trans‐butadiene
1
5-X-salicylaldehydes
1
Ab initio calculations
1
Accurate prediction
1
Acetylene
1
Alkyl formates
1
Amides
1
Basis sets
1
Bicyclo[1.1.1]pentanes
1
Chemical bonds
1
Complexation
1
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12JOUR