# SEARCH

** Ab initio calculations semiempirical molecular orbital theory **

** Calculations (contact semiempirical **

** Configuration interaction semiempirical calculations **

** Dipole moments from SCF semiempirical calculations **

** Energies, calculated by semiempirical methods **

** Excitation energy semiempirical calculations **

** Geometries, calculated by semiempirical methods **

** Ground-state dipole moments - calculate semiempirical methods **

** Ionization cross section semiempirical calculation **

** Methods Based on Quantum Chemical Semiempirical Calculations **

** Minimal basis set calculations semiempirical molecular orbital **

** Molecular modeling semiempirical calculations **

** Molecular potential semiempirical calculation **

** Oscillator strengths, semiempirical calculations **

** Polymers semiempirical calculations **

** Quantum chemical calculations semiempirical methods **

** Quantum chemical calculations semiempirical molecular orbital **

** Semiempirical Band-Structure Calculations **

** Semiempirical CNDO calculations **

** Semiempirical Calculations of Excitation Energies **

** Semiempirical Calculations on Larger Molecules **

** Semiempirical PM3 calculations alkylation **

** Semiempirical PM3 calculations protonation **

** Semiempirical band-structure calculations for polymers **

** Semiempirical calculations for dipole moments **

** Semiempirical calculations for thermodynamic functions **

** Semiempirical calculations of activation energies **

** Semiempirical calculations of atomization energies **

** Semiempirical calculations of bond-separation energies **

** Semiempirical calculations of dipole moments **

** Semiempirical calculations of entropies **

** Semiempirical calculations of hydrogen bonding **

** Semiempirical calculations of isomerization energies **

** Semiempirical calculations of molecular **

** Semiempirical calculations of molecular geometries **

** Semiempirical calculations of rotational barriers **

** Semiempirical calculations of transition-state structures **

** Semiempirical calculations of vibrational frequencies **

** Semiempirical calculations on model **

** Semiempirical calculations on very large molecules **

** Semiempirical calculations, SCF **

** Semiempirical calculations, SCF bond orders **

** Semiempirical calculations, SCF geometries **

** Semiempirical calculations, SCF strengths **

** Semiempirical calculations, advantages **

** Semiempirical calculations, chirality **

** Semiempirical calculations, design **

** Semiempirical calculations, for **

** Semiempirical calculations, for acid derivatives **

** Semiempirical calculations, for derivatives **

** Semiempirical calculations, for reactions of carboxylic acid **

** Semiempirical calculations, non-SCF **

** Semiempirical cluster calculations **

** Semiempirical methods of electronic structure calculation **

** Semiempirical molecular orbital calculations **

** Semiempirical quantum calculations **

** Semiempirical techniques MINDO/3 calculations **

** Spectra, calculated by semiempirical methods **

** Sulfoxide complexes semiempirical calculations **