CG Teaching materials based on quantum chemical calculation for basic chemistry — An approach to the electronic textbook of basic chemistry linking chemical experiments

Change in the molecular configuration of transition states after the π-complex in benzene nitration made visible from the semi-empirical molecular orbital calculation. CG Teaching material could demonstrate the structural change of reactants with both space filling and ball-and-stick models along with the reaction profile, which can provide image of energy change during the reaction. The teaching material was tried to combine with chemical experiments of student´s lab used tablet PC for the purpose of making electronic textbook of basic chemistry, which integrates the observable level experiment and the molecular world.