INIS
investigations
100%
density functional method
83%
reaction mechanisms
70%
atoms
66%
thermodynamics
66%
nitrogen
50%
cleavage
41%
protons
41%
kinetics
37%
populations
37%
glycerol
33%
decomposition
33%
topology
33%
levels
33%
acidity
33%
phthalocyanines
33%
injection
33%
boron
33%
energy
33%
carbonates
33%
boron compounds
33%
purines
33%
nitriles
33%
optical properties
33%
oxides
33%
double bonds
33%
rings
30%
free energy
22%
transition metals
22%
enthalpy
20%
coordinates
20%
free enthalpy
20%
values
16%
electrons
16%
decarboxylation
16%
functionals
16%
reactivity
16%
amines
16%
carbon
16%
phosphorus
16%
lewis acids
16%
transformations
16%
cyclization
16%
gibbs free energy
16%
reaction heat
16%
imines
16%
yields
16%
adducts
16%
stability
16%
adenines
12%
activation energy
12%
performance
11%
carboxylic acids
11%
cooperatives
11%
aromatics
11%
efficiency
11%
optimization
11%
regeneration
11%
solar cells
11%
recombination
11%
sensitizers
11%
harvesting
11%
halogens
8%
chemical bonds
8%
lewis bases
8%
x-ray diffraction
8%
guanine
8%
migration
8%
spectroscopy
8%
increasing
8%
anions
8%
bending
8%
molecules
8%
nmr
8%
Keyphrases
Nitrile Oxide
33%
Unsaturated Nitriles
33%
Cycloaddition Reaction
33%
Bond Evolution
33%
Evolution Theory
33%
Triptycene
33%
Glycerol Carbonate
33%
Carbonate Decomposition
33%
3-hydroxypropanal
33%
Purine Bases
33%
Thermodynamic Evolution
33%
Metallophthalocyanine Derivatives
33%
Thiotepa
33%
Reaction Energy
16%
Global Mechanism
16%
Intramolecular Cyclization
16%
DFT Functionals
16%
Reaction Channel
16%
1,3-Dioxolan-2-ones
16%
Reaction Enthalpy
16%
C-O Bond Formation
16%
Single Bond
16%
OH Bond
16%
Electron Population
16%
Kinetic Product
16%
Reaction Coordinate
16%
Exocyclic Amines
16%
Proton Migration
16%
Thermodynamic Product
16%
NiMn
16%
Zinc Phthalocyanine
16%
Process Injection
16%
Boron Lewis Acid
11%
Pyramidalization
11%
Carbon-halogen Bond
11%
Aryl Rings
11%
Catastrophe Theory
8%
Analysis-suitable
8%
Monosynaptic Inputs
8%
Electronic Localization Function
8%
Chemistry
Boron Compound
33%
Lewis Adduct
33%
Nitrile Oxide
33%
Metallophthalocyanine
33%
Density Functional Theory
33%
Optical Property
33%
Transition Element
33%
Gibbs Free Energy
33%
Purine
33%
Lewis Acid
33%
Electronic Property
33%
Carboxylic Acid
16%
Phthalocyanines
16%
Covalent Bond
16%
Lewis Base
16%
X-Ray Diffraction
16%
Single Bond
16%
Phosphonium
16%
Boron Atom
16%
Solar Cell
16%
Aromatic Structure
16%
Base
16%
NMR Spectroscopy
16%