Chemistry
Density Functional Theory
100%
NMR Spectroscopy
85%
Spin-Spin Coupling Constant
84%
CCSD
62%
Chemical Shift
47%
Nuclear Spin-Spin Coupling
46%
Coupled Cluster Singles and Doubles Theory
45%
Polarizability
40%
Electron Correlation
37%
DFT-B3LYP Calculation
36%
Random Phase Approximation
35%
Excited State
29%
Magnetism
25%
Solvation
25%
Hydrogen
24%
Oscillator Strength
22%
Møller-Plesset Perturbation Theory
21%
Coupled Cluster
20%
Molecular Orbital
19%
Wave Function
19%
Electronic State
18%
Time-Dependent Density Functional Theory
17%
Density Functional Theory
17%
EPR Spectroscopy
15%
Hydrogen Peroxide
15%
ESR-hyperfine Coupling Constant
15%
DNA
15%
Keyphrases
Mean Excitation Energy
43%
Spin-spin Coupling Constants
37%
Density Functional Theory
36%
Polarization Propagator
31%
Chemical Shift
27%
Coupled Cluster
27%
Coupling Constant
26%
Regular Approximation
24%
SOPPA
22%
Relativistic Effects
21%
Zeroth-order
20%
Non-relativistic
20%
Random Phase Approximation
19%
Vibrational Corrections
19%
Approximation Methods
19%
Nuclear Magnetic Resonance
18%
Indirect Spin-spin Coupling Constants
18%
CCSD(T)
18%
Singlet
18%
Aug-cc-pVTZ
17%
Exchange-correlation Functionals
17%
Electron Correlation
17%
Polarizability
16%
Solvation
16%
Glycine
15%
Complete Basis Set Limit
15%
Nuclear Shielding
15%
Zero Point
15%
B3LYP
15%
