Keyphrases
Hybrid Density Functional
100%
B3LYP
100%
Cc-pVDZ
100%
Macromolecules
50%
Condensed Phase
50%
Electronic Structure Theory
50%
Hydrogen Bonding Interaction
50%
CCSD(T)
50%
Binding Energy
50%
Molecular Orbital
50%
Lennard-Jones
50%
Bond Distance
50%
Lennard-Jones Parameters
50%
Bimolecular Complex
50%
Dispersion Interaction
50%
Root Mean Square Deviation
50%
Empirical Potentials
50%
Phase System
50%
Exchange Repulsion
50%
Fragment-based
50%
Effective Hamiltonian
50%
Long-range Dispersion
50%
Hydrogen Bonds (H-bonds)
50%
Chemistry
Hydrogen Bonding
100%
DFT-B3LYP Calculation
100%
Electronic State
50%
Condensed Phase
50%
Molecular Orbital
50%
CCSD
50%
Macromolecule
50%
Binding Energy
50%
Physics
Lennard-Jones
100%
Binding Energy
50%
Hydrogen Bond
50%
Energy Levels
50%
Macromolecule
50%