Sagar Vadhel

2 Questions 2 Answers 0 Followers

Questions related from Sagar Vadhel

Is there any theoretical way to find Bond-Dissociation Energy (BDE) of any molecule?

Dear researchers, I am seeking information about the availability of software and methods that can be utilized to determine the bond-dissociation energy of various organic compounds. Could you...

27 July 2023 3,045 3 View

Potential Energy Curves (PEC) for poly-atomic molecules

Hello everyone We have tried PEC calculation on some polyatomic molecules using MOLPRO/CASSCF. Each PECs contains 3 lines for neutral ground, anionic ground, and anionic excited state. By just...

01 January 1970 8,974 2 View