"semiempirical" . . "computational analysis" . . . . "Quantum chemical calculations" . "Computational chemistry" . . "computational chemistry" . . "Computational Chemistry" . "computational pathway design" . "computational theoretical chemistry" . . "Computational studies" . . . "Computers in Chemistry" . "Quantum-chemical calculations" . "exploiting quantum chemistry methods in other branches of science" . . . . . . . "computational chemical" . . . . "computationally" . "computational methods" . "molecular modeling" . . . . . . . "abinitio calculations" . . "Quantum mechanical calculations" . . "calculated" . . . "theoretical study" . . "calculations" . . "computational methodology" . "ab initio quantum chemistry programs" . . "Computational methods" . . . . . . . . . . . "quantum mechanical description" . "Computational chemistry" . . . "computational methods of quantum chemistry" . . "computational studies" . . "Computational modelling" . . . . . . . . "computer simulations" . . . . . . . "chemical computing" . . . . . . . . . "computational chemistry#History" . . . . "computational method" . . . "Computational Nanotechnology" . "Computational chemists" . . . . "Computational_chemistry#Software_packages" . . . . . . . . . . "Computational and Theoretical Chemistry" . "theoretical calculations" . "computational chemists" . "Computational chemist" . "computational quantum chemistry" . . . . . "computational models" . . . "computations" . . . "sophisticated approximations" . "computational" . . "Computational" . "computer models" . "chemistry" . "approximate quantum chemical methods" . . . "computational chemist" . . . . "computational nanotechnology" . .