吳奕霆-第十四週作業
20221220 計算化學第十四週作業
611260037 吳奕霆
Plot potential energy curve of 7-Azaindole (7-AI) and formic acid.
method：
TD-B3LYP/6-31+G(d,p)
E(normal, ground state) (由於輸錯指令因此沒有找到能量)
E(tautomer, ground state)= -569.563162 h
20221220 計算化學第十四週作業
611260037 吳奕霆
Plot potential energy curve of 7-Azaindole (7-AI) and formic acid.
method：
TD-B3LYP/6-31+G(d,p)
E(normal, ground state) (由於輸錯指令因此沒有找到能量)
E(tautomer, ground state)= -569.563162 h