Keyphrases
Ab Initio Density Functional Theory
100%
Density Functional Theory
100%
Force Field
100%
Noncovalent Interactions
100%
Catenanes
100%
Supramolecular Complex
100%
Hydrogen Bonds (H-bonds)
27%
Stacking Interactions
27%
Rotaxanes
18%
Electronic Structure Methods
9%
Electrostatic Interaction
9%
Interaction Games
9%
Empirical Potentials
9%
B3LYP
9%
Hydrogen Bonding Interaction
9%
Mechanically Interlocked Molecules
9%
Interaction Energy
9%
Ab Initio Methods
9%
Molecular Mechanics
9%
Symmetry-adapted Perturbation Theory
9%
M06-2X
9%
Aug-cc-pVTZ
9%
Complexation Energy
9%
SAPT Calculations
9%
Chemistry
Density Functional Theory
100%
Catenane
100%
Hydrogen
33%
Møller-Plesset Perturbation Theory
16%
Rotaxane
16%
Electronic State
8%
Molecular Mechanic
8%
Complexation
8%
[3]catenane
8%
Electrostatic Interaction
8%
DFT-B3LYP Calculation
8%
k·p perturbation theory
8%
Energetics
8%
Calculation Method
8%
Perturbation Theory
8%