Chemistry
Density Functional Theory
100%
Møller-Plesset Perturbation Theory
98%
Ab Initio Calculation
65%
Crystal Structure
58%
DFT-B3LYP Calculation
53%
Alkene
51%
Imine
50%
Structure
48%
Heterocyclic Compound
48%
Hydrogen
46%
Isomerization
43%
Carbene
42%
Ethylene
40%
Electron Density
35%
Donor
35%
Transition Element
33%
Phosphane
32%
Aluminum
32%
Ylide
29%
Iridium
29%
Potential Energy Surface
29%
Cation
28%
Chemistry
27%
Ambient Reaction Temperature
27%
NMR Spectroscopy
27%
Coordination Chemistry
26%
Double Bond
26%
Base
25%
Methane
24%
Phosphole
23%
Phosphorus Atom
23%
Electron Correlation
23%
Strain Energy
22%
Isomerism
22%
Rhodium
22%
Electronic State
22%
EPR Spectroscopy
22%
Lithium
21%
Frustrated Lewis Pairs
21%
Tautomerization
21%
Point Group C2v
20%
Single Crystalline Solid
20%
Lewis Acid
20%
Reactive Intermediate
20%
Deprotonation
19%
Chemical Shift
19%
Phosphine Oxide
19%
Organophosphorus Compound
19%
Naphthalene
19%
Tris
19%
Keyphrases
Ab Initio Calculations
8%
Geometrical Parameters
8%
Cycloaddition
8%
Phosphinidene Complexes
8%
Ab Initio Study
8%
Dihedral Angle
8%
Bond Dissociation Energy
6%
Phosphiranes
5%
Reaction Rate Constant
5%
Hammett
5%
Olefins
5%
Chiral-at-metal
5%
Nucleophilic Addition
5%
Dehydration
5%
Aromatic Ring
5%
Orthorhombic
5%
Experimental Values
5%
Vibrational Frequencies
5%
Imines
5%
Phenyl
5%