Chemical Compounds
Ab Initio Calculation
65%
Alkane
28%
Anisotropy
21%
Band Gap
16%
Bond Energy
19%
Bond Length
18%
Chromophore
16%
CNDO/S
35%
Cyanine Dye
41%
Decomposition
19%
Diatomic Molecule
25%
Dipole
100%
Dipole Moment
99%
Distribution Function
20%
Electronegativity
35%
Electrostatic Force
65%
Electrostatic Potential
67%
Energy
53%
Excited Electronic State
20%
Excited Singlet State
36%
Excited State
89%
Force
76%
Ground State
52%
Harmonic Oscillator
24%
Hydrogen Bond
15%
Infrared Signal Intensity
24%
Interfacial Energy
27%
Intermolecular Force
22%
Iodine Atom
42%
IR Absorption
20%
Molecular Mechanic
17%
Molecule
67%
Multipole
81%
Orbital
25%
Oscillator Strength
27%
Polarizability
63%
Polyene
96%
Potential Energy Surface
22%
Propane
16%
Protein
16%
Quadrupole Moment
32%
Reaction Yield
18%
Retinal
55%
Retinal Pigment
53%
Schiff Base
35%
Simulation
16%
Singlet State
19%
Torsional Potential
32%
Valence
68%
Virial Theorem
30%
Physics & Astronomy
atoms
58%
augmentation
10%
blue shift
17%
butadiene
39%
charge distribution
8%
charge transfer
12%
chemical reactions
15%
configurations
10%
contraction
16%
dimers
61%
dipole moments
73%
dipoles
47%
disposal
10%
distribution functions
13%
dyes
29%
electronics
29%
electrostatics
42%
energy
17%
entropy
12%
excitation
50%
expansion
8%
geometry
10%
ground state
25%
hydrogen
12%
hydrogen bonds
26%
imines
36%
infrared absorption
17%
interactions
32%
iodine
14%
ionization potentials
9%
liquids
8%
matrices
10%
molecules
41%
moments
24%
multipoles
20%
nuclei
8%
operators
9%
orbitals
17%
photochemical reactions
9%
protons
9%
red shift
14%
screening
14%
shift
13%
solutes
15%
stems
8%
valence
47%
vibration
11%
virial theorem
23%
visual pigments
35%
water
19%
Mathematics
Ab Initio Calculations
13%
Angle
13%
Charge
31%
Class
9%
Decompose
10%
Derivative
5%
Dipole
14%
Electrostatic Field
6%
Electrostatic Force
33%
Electrostatics
45%
Energy
31%
Energy Function
20%
External Field
8%
Force Field
54%
Interaction
17%
Methodology
27%
Molecules
64%
Moment
16%
Nucleus
14%
Pairwise
14%
Perpendicular
29%
Potential Function
5%
Quantum Fields
22%
Quartic
5%
Second derivative
22%
Surface Energy
16%
Tensor
12%
Transition State
6%
