INIS
switches
100%
energy
49%
density functional method
46%
enols
43%
units
43%
nonlinear problems
33%
periodicity
31%
solids
25%
crystals
24%
optical properties
22%
investigations
22%
crystallization
22%
variations
20%
geometry
13%
hybrids
12%
crystal field
12%
transformations
12%
functionals
12%
values
11%
data
11%
dispersions
11%
solvation
11%
junctions
11%
hydrogen
11%
hydrogen 1
11%
excitation
11%
absorption spectra
11%
nmr
11%
boundary conditions
10%
rayleigh scattering
10%
modifications
10%
pyridine
9%
x-ray diffraction
9%
protons
8%
reduction
8%
distribution
8%
experimental data
7%
levels
7%
phenol
7%
stabilization
7%
capacity
7%
time dependence
6%
bond lengths
6%
absorption
6%
molecules
5%
stimulation
5%
polarization
5%
chemical shift
5%
electrochemistry
5%
hydrogen 7
5%
Chemistry
Density Functional Theory
66%
Enol
49%
Oxazolidine
33%
Co Crystallization
26%
Hyperpolarizability
18%
Crystal Field
15%
Hyper Rayleigh Scattering
14%
Nonlinear Optical Property
12%
Bond Length
12%
Periodic Boundary Condition
11%
Second-Order Nonlinear Optical Property
11%
Quantum Chemical Calculations
11%
Density Functional Theory Approaches
11%
1H NMR Spectroscopy
11%
Solvation
11%
Optical Property
11%
Hydrogen Bonding
11%
Absorption Spectrum
11%
UV/VIS Spectroscopy
11%
Conformational Isomer
9%
X-Ray Diffraction
9%
Phenol
9%
Unit Cell Parameter
8%
Fumaric Acid
7%
Succinic Acid
7%
Keyphrases
DFT Study
11%
Salicylideneaniline
11%
Periodic DFT
11%
Enols
11%
Cocrystal
11%
Co-crystallization
11%
Covalent Organic Frameworks
11%
Implicit Solvation
11%
Molecular Switches
11%
Keto
8%
Implicit Solvation Model
8%
Crystalline State
5%
5-chloro-2
5%
Hydroxybenzylidene
5%
Pyridine-3
5%
Keto Form
5%
Geometric Variation
5%
Charge Variation
5%
Relative Geometry
5%
Complex Effects
5%
NLO Susceptibility
5%
Hydrogen Bonds (H-bonds)
5%
Core Follow
5%
Two-dimensional Covalent Organic Frameworks
5%
Switching Capacity
5%
Acid Addition
5%
Covalent Assembly
5%
Classical Statistical
5%
Electrochemical Stimulation
5%
