Chemical Compounds
Polyacetylene Polymer
Electron correlations
Chain length
Polysilanes
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Band structure
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Hydrogen
polythiophene
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helicenes
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Electronic structure
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austin
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Computer simulation
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Carbon Monoxide
3-methyl-4-nitropyridine 1-oxide
Extrapolation
triethylaluminum
Infrared radiation
Electron-electron interactions
prolinol
Hartree approximation
Set theory
lumiflavin
Complexation
merocyanine
Thiophenes
Physics & Astronomy
polyacetylene
oligomers
polysilanes
electronics
polymers
approximation
electrons
alternations
cells
zeolites
molecular dynamics
geometry
electric dipoles
molecules
polyethylenes
orbitals
water
hydrogen
simulation
molecular orbitals
harmonics
evaluation
harmonic oscillators
excitation
dimers
optical properties
polarization
quantum chemistry
strip
plane waves
energy
synthesis
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interactions
self consistent fields
vibrational spectra
incentives
thiophenes
formalism
carbon
analogs
torsion
nuclear relaxation
inclusions
dipole moments
coefficients
extrapolation
topology
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configuration interaction
Engineering & Materials Science
Polyacetylenes
Zeolites
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Chain length
Molecules
Band structure
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Electronic structure
Water
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Torsional stress
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Molecular sieves
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Bond length
Trajectories
Local density approximation