Keyphrases
CCSD(T)
100%
Recoupled Pair Bonding
85%
Quantum Chemistry
83%
Correlation-consistent Basis Sets
79%
Astrophysical Ices
59%
Complete Basis Set Limit
54%
Recoupled Pair Bond
45%
Valence
44%
Benchmark Calculations
39%
Icy Grains
38%
Molecular Wave Function
35%
Formic Acid
31%
Gaussian Basis Sets
31%
Correlation Consistent
31%
Methanol
30%
Cluster Calculations
30%
Ab Initio Study
29%
Molecular Calculations
29%
Formaldehyde
29%
Interstellar Medium
28%
Excited States
28%
Anions
25%
Multireference Configuration Interaction
25%
Gas Phase
24%
Hypervalent Compounds
24%
Electron Affinity
23%
Sulfur
23%
Transition State
23%
Low Temperature
22%
Configuration Interaction Calculations
21%
Electronic Structure
21%
Hydrogen Cyanide
21%
H2O Ice
20%
Bonding Model
20%
Bond Dissociation Energy
19%
Density Functional Theory
19%
Dipole Polarizability
19%
Binding Energy
19%
Low-lying Excited States
18%
Acetylene
18%
Ab Initio Potential
17%
HCO+
17%
Ice Analogs
17%
Ab Initio Modeling
17%
Wave Function
17%
Carbon Dioxide
17%
Chemical Cluster
17%
Closed Shell
17%
Spectroscopic Constants
16%
High-level Ab Initio Calculations
16%
Chemistry
Ice
99%
formation
63%
Møller-Plesset Perturbation Theory
63%
Excited State
51%
Wave Function
49%
CCSD
49%
Multireference Configuration Interaction
46%
Hypervalence
45%
Ground State
44%
Ab Initio Calculation
42%
Energetics
36%
Gaussian Distribution
33%
Transition State
32%
Generalized Valence Bond Theory
29%
Electron Affinity
27%
Methanol
26%
Chemistry
25%
Electronic State
25%
Hydrogen
22%
Ammonia
22%
Dissociation Energy
22%
Coupled Cluster Methods
18%
Density Functional Theory
18%
Binding Energy
18%
Halide
17%
Isomerism
17%
DFT-B3LYP Calculation
16%
Argon
16%
Polarizability
16%
Potential Energy Surface
16%
k·p perturbation theory
15%
Perturbation Theory
15%
Bond Length
15%
Quantum Chemical Calculations
15%
Hydrogen Cyanide
15%
Dipole Moment
14%
dimer
14%
stability
13%
Fluorine
13%
Ionization Potential
13%
Proton Transfer
13%
Hydrogenation
13%
Formic Acid
13%
Carbon Monoxide
13%
Charge Transfer Complex
12%
Methane
12%
Isocyanide
12%
Carbon Dioxide
12%
Solvation
12%
Bond Energy
12%
