Chemistry
Propagator Method
100%
Ionization Potential
95%
Density Functional Theory
89%
Electronic State
59%
Bond Length
48%
Electron Affinity
41%
Transition State
34%
Quantum Chemistry
34%
Lowest Unoccupied Molecular Orbital
34%
Polarizability
34%
Vibrational Frequency
33%
DFT-B3LYP Calculation
32%
Hartree-Fock Calculation
25%
Potential Energy Surface
23%
Computational Chemistry
23%
Nitrogen Dioxide
23%
Potential Energy
23%
Møller-Plesset Perturbation Theory
23%
Local-Density Approximation
23%
Density Functional Theory
23%
CCSD
19%
Tight Binding Model
19%
Ground State
18%
Highest Occupied Molecular Orbital
16%
Reaction Path
15%
Monomer
15%
Atomic Orbital
15%
Binding Energy
15%
Molecular Orbital
15%
Photoelectron Spectroscopy
15%
Energetics
15%
Coupled Cluster
15%
dimer
15%
electronics
15%
Multireference Configuration Interaction
14%
k·p perturbation theory
14%
Perturbation Theory
14%
Kinetic Energy
14%
Reaction Activation Energy
13%
formation
13%
Reduction Potential
11%
Complexation
11%
Electron Density
11%
Cyclopentadienyl
11%
Photoionization
11%
Chemistry
11%
Frontier Orbital
11%
Transition Probability
11%
Self-Energy
11%
Nitroaniline
11%
Engineering
Ionization Potential
59%
Spin Tensor
49%
Energy Surface
46%
Potential Energy
46%
Covalent
28%
Local Minimum
23%
Polarizability
23%
Eigenvalue
23%
Electronic State
23%
John Wiley
17%
Stationary Point
17%
Energy Levels
17%
Local Density Approximation
15%
Engineering
11%
Technology Change
11%
Limit Set
11%
Surface Potential
11%
Activation Energy
11%
Exchange Energy
11%
Fast Multipole Method
11%
Software Technology
11%
Surface State
11%
Molecular Orbital
11%
Superposition
11%
Surface Site
11%
Hessian Matrix
11%
Energy Requirement
11%
Cross Section
11%
Asymmetric Mode
11%
Reactant
11%
Experimental Finding
11%
Ground Potential
11%
Internuclear Distance
11%
Reaction Thermodynamics
11%
Beam Data
11%
Initial State
8%
Eigenmode
8%
Multiplicity
8%
Green's Functions
6%
Critical Point
5%
Endothermic Reaction
5%
Computational Resource
5%
Computer Technology
5%
Streambed
5%
Side Channel
5%
Step Length
5%
Technological Development
5%
Excited State
5%
Barrier Height
5%
Resonance Energy
5%
