Assunto em inglês
-caprolactone
1
Binary and ternary correlations
1
Conformational analysis
1
DFT
1
Estimation of pKa and thermodynamic properties
1
IEFPCM solvation model
1
Iinfrared spectroscopy
1
Mechanical solvation dynamics
1
Models of solvation
1
Molecular parameters
1
NBO
1
NMR spectroscopy
1
Quantum-mechanical calculations
1
Relaxation mechanisms
1
Repulsive and attractive correlations
1
Rutin
1
Semiempirical methods
1
Solvation energy
1
Time correlation function
1
Translation and rotation
1
drugs
1
molecular dynamics
1
phenylacetic acid
1
poly-ε
1
solvation
1
theoretical calculation
1