METHOD FOR QUANTITATIVE AND COMPARATIVE ANALYSIS OF DISTRIBUTIONS OF MOLECULAR ORBITALS IN SPECIFIC MOLECULAR REGION AND SYSTEM USING THE SAME

摘要

The present invention relates to a quantitative and comparative analysis method of molecular orbital distribution in a specific region and to a system using the same. The present invention relates to a method for comparing molecular orbital distribution in a specific region of object material T. The present invention includes the steps of obtaining a molecular orbital distribution-deviation score (MOD-Dscore) value which is quantitative difference of molecular orbital distribution of P1 and P2, which are standard materials; and obtaining the MOD-Dscore value between the object material T and the standard material P1 and between the object material T and the standard material P2.