Keyphrases
Comprehensive Investigation
100%
Intermolecular Interactions
100%
Nanocage
100%
Adsorption
60%
Diazomethane
20%
Molecular Orbital
20%
CAM-B3LYP
20%
B3LYP-D3
20%
Sensing Materials
20%
Strong Bond
20%
N Atoms
20%
M06-2X
20%
Electronic Structure Calculations
20%
Adsorption Process
20%
Transfer Phenomena
20%
Density Functional Theory
20%
Charge Transfer
20%
Preferred Sites
20%
INIS
adsorption
100%
interactions
100%
investigations
100%
atoms
50%
surfaces
25%
energy
25%
density functional method
25%
cam
25%
electronic structure
25%
molecules
25%
functionals
25%
molecular orbital method
25%
charges
25%
Chemistry
Intermolecular Force
100%
Nanocage
100%
Adsorption
80%
DFT-B3LYP Calculation
40%
Atom
40%
Chemical Bond
40%
Energy
20%
Electronic State
20%
HOMO (Molecular Orbital)
20%
LUMO (Molecular Orbital)
20%
Density Functional Theory
20%
Surface
20%
Diazomethane
20%
Molecule
20%
Material Science
Adsorption
100%
Materials
25%
Density
25%
Electronic Structure Calculation
25%
Surface
25%