Keyphrases
Random Phase Approximation
100%
Correlation Energy
33%
Binding Energy
20%
Density Functional
19%
Basis Set Convergence
16%
Transition Metal Chemistry
16%
Reaction Energy
15%
Electronic Dynamics
15%
Imaginary Frequency
14%
Semilocal
14%
Parameter-free
14%
Density Functional Theory
13%
Set Size
13%
Noncovalent Interactions
13%
Adiabatic Connection
13%
Identity Resolution
13%
Energy Structure
12%
Homogeneous Catalysis
12%
Thermochemistry
12%
Small Water Clusters
12%
Fast Computation
12%
Harmonic Frequency
12%
Electron Correlation Calculations
12%
SH3 Domain
12%
High-resolution NMR
12%
Molecular Properties
12%
Spectrin
12%
NMR Structure
12%
Molecular Forces
12%
Oscillating Electric Field
12%
Azabicyclics
12%
Time-dependent Hartree-Fock
12%
Subsystem Density Functional Theory
12%
Pentafluorobenzene
12%
Van Der Waals
12%
Casimir-Polder Interaction
12%
Donor Groups
12%
High Current
12%
Neutral Molecules
12%
Analysis-by-synthesis
12%
Constrained DFT
12%
Electron Transfer Dynamics
12%
Acceptor Group
12%
Charge Transfer Dynamics
12%
Subsystem DFT
12%
Varying Angles
12%
Energy Difference
12%
Binding Affinity
12%
Computational Analysis
12%
Free Radicals
12%
Chemistry
Random Phase Approximation
100%
Density Functional Theory
28%
Electron Correlation Energy
27%
Transition Metal
25%
Bond Angle
14%
electronics
14%
Binding Energy
14%
Molecular Property
12%
Donor
12%
Chemistry
12%
Homogeneous Catalysis
12%
Mechanistic Study
12%
Polysaccharide
12%
Free Radical
12%
Electric Field
12%
Electron Correlation
12%
Thermochemistry
12%
Conformational Isomer
11%
Bond Length
10%
Møller-Plesset Perturbation Theory
10%
Dissociation Energy
8%
Isomerization
8%
Alkane
8%
dimer
8%
Ground State
7%
Organic Chemistry
6%
Structure-Activity Relationship
6%
Pentafluorobenzenes
6%
Diastereomer
6%
Electron Transport
6%
Ruthenium
6%
Dipole Moment
6%
Vibrational Frequency
5%
DFT-B3LYP Calculation
5%
Coordination Compound
5%
