Chemistry
Excited State
100%
Multireference Configuration Interaction
63%
Energy
55%
Simulation
49%
Ground State
48%
Electron Correlation
32%
Orbital
30%
Density Functional Theory
30%
Coupled Electron Pair Approximation
29%
Ab Initio Calculation
28%
Potential Energy Surface
28%
Molecule
25%
Electronic State
22%
Singlet State
21%
Proton Transfer
19%
Rydberg State
19%
Hartree-Fock Calculation
19%
Coupled Cluster
18%
Charge Transfer State
17%
Absorption Spectrum
16%
Internal Conversion
16%
Surface
16%
Pyrene
16%
Solvent Effect
16%
Oligomer
16%
Valence
15%
Solvation
15%
Electron Correlation Energy
15%
Arene
15%
Nucleobase
15%
Cation
14%
Charge Transfer
13%
Graphene
13%
Vibrational Spectrum
13%
Reaction Path
13%
Wave Function
13%
Interfacial Energy
13%
Calculation Method
13%
Excited Singlet State
12%
Force Constant
12%
Molecular Dynamics
12%
Molecular Cluster
12%
Vibrational Frequency
12%
Triplet State
12%
Gas
11%
Hydrogen Bond
11%
Dissociation
11%
Electronic Excitation
10%
Quantum Chemistry
10%
Fluorescence
10%
Davidson Oxazole Synthesis
10%
Hydrogen
10%
Bond Length
10%
Carbon Atom
9%
Formaldehyde
9%
UV Absorption
9%
Environment
9%
Formamide
9%
Adenine
9%
Oscillator Strength
8%
Nanoribbon
8%
CASSCF Calculation
8%
Torsion
8%
Intermolecular Force
8%
CI Calculation
8%
Compound Isomer
8%
Solvent
8%
Hamiltonian
8%
Isomerization
8%
Photoisomerization
8%
Torsional Potential
8%
Perturbation Theory
8%
Charge Transfer Interaction
8%
Electron Spin
7%
Exciton
7%
Physics & Astronomy
excitation
71%
configuration interaction
46%
self consistent fields
37%
dimers
32%
molecules
31%
energy
29%
potential energy
28%
pyrenes
28%
ground state
27%
intersections
26%
electronics
25%
density functional theory
25%
charge transfer
25%
simulation
25%
geometry
24%
deactivation
21%
graphene
21%
orbitals
19%
carbon
18%
vapor phases
17%
molecular dynamics
17%
cations
17%
polycyclic aromatic hydrocarbons
17%
water
17%
vibrational spectra
16%
adenines
16%
ethylene
16%
absorption spectra
15%
valence
15%
interactions
15%
protons
14%
electrons
14%
solvation
14%
fluorescence
14%
hydrogen
14%
rings
12%
optimization
12%
oligomers
12%
isomerization
11%
hydrogen bonds
11%
pyrroles
11%
isomers
11%
dissociation
11%
formaldehyde
10%
kaolinite
10%
atoms
10%
defects
10%
surface energy
10%
guanines
9%
saddle points
9%
decay
9%
life (durability)
9%
internal conversion
9%
gradients
9%
inclusions
8%
atomic energy levels
8%
characterization
7%
harmonics
7%
photochemical reactions
7%
acetic acid
7%
field theory (physics)
7%
functionals
7%
anions
7%
wave functions
7%
trajectories
7%
electronic structure
7%
trimers
6%
curves
6%
hydrocarbons
6%
monomers
6%
clays
6%
thymine
6%
acetylene
6%