Keyphrases
Charge Flux
83%
Second Derivative
71%
Ab Initio Calculations
69%
Visual pigment
63%
Molecular Dipole Moment
62%
Excited States
54%
Planar Molecule
53%
Force Field
49%
Electrostatic Force
48%
Atomic Charges
48%
Atomic multipoles
44%
Polyenes
44%
Molecular Systems
39%
Bacteriorhodopsin
37%
Point Dipole
37%
Charge-dipole Interaction
37%
Electrostatic Potential
36%
Energy Surface
35%
Molecular Polarizability
34%
Protonated Schiff Base
34%
Pairwise Interaction
32%
Atomic Dipoles
31%
Radiationless Transition
29%
Linear Polyenes
29%
Valence Excited States
29%
Cyanine Dyes
29%
Molecular Mechanics
29%
Functional Groups
29%
Alkanes
29%
Atomic Point Charges
29%
Iodine Atom
29%
Information Theory
29%
Second Moment
29%
Butadiene
26%
Bond Length
26%
Valence
25%
Dipole Moment
24%
Transferability
23%
Point Charge
22%
Electronegativity Equalization
22%
Partial Atomic Charges
22%
Singlet Excited State
22%
Structural Change
22%
Quantum Mechanical
22%
Molecular Electrostatic Potential
22%
Chromophore
21%
Torsional Potential
19%
Equilibrium Geometry
19%
Energy Gap
19%
Photoisomerization
19%
Chemistry
Excited State
100%
Dipole Moment
94%
Ab Initio Calculation
65%
Ground State
64%
Polyene
59%
Interfacial Energy
52%
Polarizability
44%
Molecular Mechanic
31%
Electronegativity
29%
Iodine Atom
29%
Excited Singlet State
29%
Butadiene
29%
Alkane
29%
Multipole
29%
Isomerization
26%
Electrostatic Potential
25%
Bond Length
22%
Relaxation
22%
Intermolecular Force
22%
Oscillator Strength
19%
Torsional Potential
19%
Photoisomerization
19%
Retinal Pigment
18%
CNDO/S
18%
Chromophore
14%
Schiff Base
14%
Virial Theorem
14%
Blue
14%
Primary Structure
14%
Anisotropy
14%
Hydrogen
14%
Ketones
14%
Radiationless Transition
14%
Proton Transfer
14%
Distribution Function
14%
Singlet State
14%
Styrene
14%
Cyanine Dye
14%
Structure
14%
Infrared Signal Intensity
14%
Bond Energy
14%
Red
14%
Quadrupole
14%
Molecular Structure
14%
Harmonic Oscillator
14%
Energetics
14%
Organic Compound
14%
Carboxamide
14%
Transition State
14%
Energy Storage
14%
Engineering
Energy Engineering
68%
Dipole Moment
59%
Excited State
59%
Energy Surface
50%
Ground State
40%
Model System
29%
Alkane
29%
Functional Group
25%
Observables
24%
Potential Energy
22%
Picosecond
22%
Electrostatic Potential
19%
Matrix Element
17%
Molecular Mechanics
16%
Mechanical Force
16%
Chromophore
14%
Energy Gap
14%
Distribution Type
14%
Geometry Optimization
14%
Infrared Absorption
14%
Measured Energy
14%
Biological System
14%
Excitation Energy
14%
Experimental Value
14%
Light Absorption
14%
Theoretical Study
14%
Optical Power
14%
Energy Storage
14%
Ground State
14%
Chromophore
14%
Electrostatics
13%
Functional Form
12%
Monomer
11%
Internals
8%
Good Agreement
7%
Surface Potential
7%
Close Range
7%
Hessian Matrix
7%
Bonding Structure
7%
Experimental Result
7%
Double Bond
7%
Electrostatic Attraction
7%
Simple Model
7%
Relaxation Process
7%
Dependent Process
7%
John Wiley
6%